3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol

C141H152F3N15O13S7 — CID 161219727

IUPAC3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
SMILESC=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc(C(F)(F)F)nc1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc(OC)nc1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2c(cnn2C)c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2cn[nH]c2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2scnc2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1cnn(CC)c1)CCCC3
InChIInChI=1S/C25H27N3O2S.C24H25N3O2S.C24H24N2O2S2.C23H23F3N2O2S.C23H26N2O3S.C22H27N3O2S/c1-5-30-24(15(3)29)21-14(2)27-25-23(18-8-6-7-9-20(18)31-25)22(21)16-10-11-19-17(12-16)13-26-28(19)4;1-4-29-23(14(3)28)20-13(2)26-24-22(17-7-5-6-8-19(17)30-24)21(20)15-9-10-16-12-25-27-18(16)11-15;1-4-28-23(14(3)27)20-13(2)26-24-22(16-7-5-6-8-18(16)30-24)21(20)15-9-10-19-17(11-15)25-12-29-19;1-4-30-21(13(3)29)18-12(2)28-22-20(15-7-5-6-8-16(15)31-22)19(18)14-9-10-17(27-11-14)23(24,25)26;1-5-28-22(14(3)26)19-13(2)25-23-21(16-8-6-7-9-17(16)29-23)20(19)15-10-11-18(27-4)24-12-15;1-5-25-12-15(11-23-25)19-18(21(14(4)26)27-6-2)13(3)24-22-20(19)16-9-7-8-10-17(16)28-22/h10-13,24,29H,3,5-9H2,1-2,4H3;9-12,23,28H,3-8H2,1-2H3,(H,25,27);9-12,23,27H,3-8H2,1-2H3;9-11,21,29H,3-8H2,1-2H3;10-12,22,26H,3,5-9H2,1-2,4H3;11-12,21,26H,4-10H2,1-3H3
InChIKeyUXIQRRWCDWDIPS-UHFFFAOYSA-N
MW2546.32 g/mol
LogP37.21
Rot. Bonds32

About 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol

3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol (PubChem CID 161219727) has the molecular formula C141H152F3N15O13S7 and a molecular weight of 2546.32 g/mol. Its IUPAC name is 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
PubChem CID161219727
Molecular FormulaC141H152F3N15O13S7
Molecular Weight2546.32 g/mol
Exact Mass2543.97
IUPAC Name3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
SMILESC=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc(C(F)(F)F)nc1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc(OC)nc1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2c(cnn2C)c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2cn[nH]c2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2scnc2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1cnn(CC)c1)CCCC3
InChIInChI=1S/C25H27N3O2S.C24H25N3O2S.C24H24N2O2S2.C23H23F3N2O2S.C23H26N2O3S.C22H27N3O2S/c1-5-30-24(15(3)29)21-14(2)27-25-23(18-8-6-7-9-20(18)31-25)22(21)16-10-11-19-17(12-16)13-26-28(19)4;1-4-29-23(14(3)28)20-13(2)26-24-22(17-7-5-6-8-19(17)30-24)21(20)15-9-10-16-12-25-27-18(16)11-15;1-4-28-23(14(3)27)20-13(2)26-24-22(16-7-5-6-8-18(16)30-24)21(20)15-9-10-19-17(11-15)25-12-29-19;1-4-30-21(13(3)29)18-12(2)28-22-20(15-7-5-6-8-16(15)31-22)19(18)14-9-10-17(27-11-14)23(24,25)26;1-5-28-22(14(3)26)19-13(2)25-23-21(16-8-6-7-9-17(16)29-23)20(19)15-10-11-18(27-4)24-12-15;1-5-25-12-15(11-23-25)19-18(21(14(4)26)27-6-2)13(3)24-22-20(19)16-9-7-8-10-17(16)28-22/h10-13,24,29H,3,5-9H2,1-2,4H3;9-12,23,28H,3-8H2,1-2H3,(H,25,27);9-12,23,27H,3-8H2,1-2H3;9-11,21,29H,3-8H2,1-2H3;10-12,22,26H,3,5-9H2,1-2,4H3;11-12,21,26H,4-10H2,1-3H3
InChIKeyUXIQRRWCDWDIPS-UHFFFAOYSA-N
XLogP37.21
TPSA366.32 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds32
Heavy Atoms179
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.32
LogP ≤ 537.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
The IUPAC name of 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol (CID 161219727) is 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol.
What is the SMILES notation for 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
The canonical SMILES for 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol is C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc(C(F)(F)F)nc1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc(OC)nc1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2c(cnn2C)c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2cn[nH]c2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2scnc2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1cnn(CC)c1)CCCC3.
What is the InChIKey of 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
The InChIKey is UXIQRRWCDWDIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S.C24H25N3O2S.C24H24N2O2S2.C23H23F3N2O2S.C23H26N2O3S.C22H27N3O2S/c1-5-30-24(15(3)29)21-14(2)27-25-23(18-8-6-7-9-20(18)31-25)22(21)16-10-11-19-17(12-16)13-26-28(19)4;1-4-29-23(14(3)28)20-13(2)26-24-22(17-7-5-6-8-19(17)30-24)21(20)15-9-10-16-12-25-27-18(16)11-15;1-4-28-23(14(3)27)20-13(2)26-24-22(16-7-5-6-8-18(16)30-24)21(20)15-9-10-19-17(11-15)25-12-29-19;1-4-30-21(13(3)29)18-12(2)28-22-20(15-7-5-6-8-16(15)31-22)19(18)14-9-10-17(27-11-14)23(24,25)26;1-5-28-22(14(3)26)19-13(2)25-23-21(16-8-6-7-9-17(16)29-23)20(19)15-10-11-18(27-4)24-12-15;1-5-25-12-15(11-23-25)19-18(21(14(4)26)27-6-2)13(3)24-22-20(19)16-9-7-8-10-17(16)28-22/h10-13,24,29H,3,5-9H2,1-2,4H3;9-12,23,28H,3-8H2,1-2H3,(H,25,27);9-12,23,27H,3-8H2,1-2H3;9-11,21,29H,3-8H2,1-2H3;10-12,22,26H,3,5-9H2,1-2,4H3;11-12,21,26H,4-10H2,1-3H3.
What are the key properties of 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol has a molecular weight of 2546.32 g/mol, XLogP of 37.21, 32 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(6-methoxy-3-pyridinyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol is sourced from PubChem (CID 161219727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).