6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

C75H83N15O5S8 — CID 157477796

IUPAC6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc3cccnc3s1)CCNC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCCC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCN(C(C)CN1CCOCC1)C2.CCC(C)CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2
InChIInChI=1S/C22H27N5O2S2.C22H27N3OS2.C16H15N3OS2.C15H14N4OS2/c1-14(12-26-7-9-29-10-8-26)27-6-4-16-19(13-27)31-21(24-15(2)28)20(16)22-25-17-11-23-5-3-18(17)30-22;1-3-14(2)5-4-6-15(26)11-19-21(16-7-9-24-13-20(16)27-19)22-25-17-12-23-10-8-18(17)28-22;1-9(20)18-15-14(10-4-2-3-5-12(10)21-15)16-19-11-8-17-7-6-13(11)22-16;1-8(20)18-14-12(9-4-6-16-7-11(9)21-14)15-19-10-3-2-5-17-13(10)22-15/h3,5,11,14H,4,6-10,12-13H2,1-2H3,(H,24,28);8,10,12,14,24H,3-7,9,11,13H2,1-2H3;6-8H,2-5H2,1H3,(H,18,20);2-3,5,16H,4,6-7H2,1H3,(H,18,20)
InChIKeyBVUKYHHJVJZDFP-UHFFFAOYSA-N
MW1531.12 g/mol
LogP16.13
Rot. Bonds17

About 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (PubChem CID 157477796) has the molecular formula C75H83N15O5S8 and a molecular weight of 1531.12 g/mol. Its IUPAC name is 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.

Molecular Properties

Compound Name6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
PubChem CID157477796
Molecular FormulaC75H83N15O5S8
Molecular Weight1531.12 g/mol
Exact Mass1529.45
IUPAC Name6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc3cccnc3s1)CCNC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCCC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCN(C(C)CN1CCOCC1)C2.CCC(C)CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2
InChIInChI=1S/C22H27N5O2S2.C22H27N3OS2.C16H15N3OS2.C15H14N4OS2/c1-14(12-26-7-9-29-10-8-26)27-6-4-16-19(13-27)31-21(24-15(2)28)20(16)22-25-17-11-23-5-3-18(17)30-22;1-3-14(2)5-4-6-15(26)11-19-21(16-7-9-24-13-20(16)27-19)22-25-17-12-23-10-8-18(17)28-22;1-9(20)18-15-14(10-4-2-3-5-12(10)21-15)16-19-11-8-17-7-6-13(11)22-16;1-8(20)18-14-12(9-4-6-16-7-11(9)21-14)15-19-10-3-2-5-17-13(10)22-15/h3,5,11,14H,4,6-10,12-13H2,1-2H3,(H,24,28);8,10,12,14,24H,3-7,9,11,13H2,1-2H3;6-8H,2-5H2,1H3,(H,18,20);2-3,5,16H,4,6-7H2,1H3,(H,18,20)
InChIKeyBVUKYHHJVJZDFP-UHFFFAOYSA-N
XLogP16.13
TPSA247.26 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.12
LogP ≤ 516.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The IUPAC name of 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (CID 157477796) is 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.
What is the SMILES notation for 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The canonical SMILES for 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is CC(=O)Nc1sc2c(c1-c1nc3cccnc3s1)CCNC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCCC2.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCN(C(C)CN1CCOCC1)C2.CCC(C)CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2.
What is the InChIKey of 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The InChIKey is BVUKYHHJVJZDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S2.C22H27N3OS2.C16H15N3OS2.C15H14N4OS2/c1-14(12-26-7-9-29-10-8-26)27-6-4-16-19(13-27)31-21(24-15(2)28)20(16)22-25-17-11-23-5-3-18(17)30-22;1-3-14(2)5-4-6-15(26)11-19-21(16-7-9-24-13-20(16)27-19)22-25-17-12-23-10-8-18(17)28-22;1-9(20)18-15-14(10-4-2-3-5-12(10)21-15)16-19-11-8-17-7-6-13(11)22-16;1-8(20)18-14-12(9-4-6-16-7-11(9)21-14)15-19-10-3-2-5-17-13(10)22-15/h3,5,11,14H,4,6-10,12-13H2,1-2H3,(H,24,28);8,10,12,14,24H,3-7,9,11,13H2,1-2H3;6-8H,2-5H2,1H3,(H,18,20);2-3,5,16H,4,6-7H2,1H3,(H,18,20).
What are the key properties of 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide has a molecular weight of 1531.12 g/mol, XLogP of 16.13, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one;N-[6-(1-morpholin-4-ylpropan-2-yl)-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is sourced from PubChem (CID 157477796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).