4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline

C140H111F3N18O5S2 — CID 160838917

IUPAC4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
SMILESCOc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(C)c1O.COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(O)c1C.Cc1cc(-c2ncccc2-c2ccc3ncncc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1
InChIInChI=1S/2C28H24FN3O2S.C22H17N3O.C22H17N3.C20H14FN3.C20H15N3/c1-16-9-20(4-6-23(16)29)27-22(19-5-7-24-26(11-19)35-15-32-24)12-21(14-31-27)30-13-18-8-17(2)28(33)25(10-18)34-3;1-16-8-20(4-6-23(16)29)28-22(19-5-7-24-27(11-19)35-15-32-24)12-21(14-31-28)30-13-18-9-25(33)17(2)26(10-18)34-3;26-22-19-12-16(8-9-20(19)24-13-25-22)18-5-2-10-23-21(18)17-4-1-3-15(11-17)14-6-7-14;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-13-9-15(4-6-18(13)21)20-17(3-2-8-23-20)14-5-7-19-16(10-14)11-22-12-24-19;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h2*4-12,14-15,30,33H,13H2,1-3H3;1-5,8-14H,6-7H2,(H,24,25,26);1-5,8-15H,6-7H2;2-12H,1H3;2-13H,1H3
InChIKeySHTPOISEBYILNO-UHFFFAOYSA-N
MW2246.68 g/mol
LogP33.45
Rot. Bonds22

About 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline

4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline (PubChem CID 160838917) has the molecular formula C140H111F3N18O5S2 and a molecular weight of 2246.68 g/mol. Its IUPAC name is 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline.

Molecular Properties

Compound Name4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
PubChem CID160838917
Molecular FormulaC140H111F3N18O5S2
Molecular Weight2246.68 g/mol
Exact Mass2244.84
IUPAC Name4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
SMILESCOc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(C)c1O.COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(O)c1C.Cc1cc(-c2ncccc2-c2ccc3ncncc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1
InChIInChI=1S/2C28H24FN3O2S.C22H17N3O.C22H17N3.C20H14FN3.C20H15N3/c1-16-9-20(4-6-23(16)29)27-22(19-5-7-24-26(11-19)35-15-32-24)12-21(14-31-27)30-13-18-8-17(2)28(33)25(10-18)34-3;1-16-8-20(4-6-23(16)29)28-22(19-5-7-24-27(11-19)35-15-32-24)12-21(14-31-28)30-13-18-9-25(33)17(2)26(10-18)34-3;26-22-19-12-16(8-9-20(19)24-13-25-22)18-5-2-10-23-21(18)17-4-1-3-15(11-17)14-6-7-14;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-13-9-15(4-6-18(13)21)20-17(3-2-8-23-20)14-5-7-19-16(10-14)11-22-12-24-19;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h2*4-12,14-15,30,33H,13H2,1-3H3;1-5,8-14H,6-7H2,(H,24,25,26);1-5,8-15H,6-7H2;2-12H,1H3;2-13H,1H3
InChIKeySHTPOISEBYILNO-UHFFFAOYSA-N
XLogP33.45
TPSA309.19 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.68
LogP ≤ 533.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline with MolForge

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Launch Full Analysis

Related Compounds

4-[[[5-(1,3-Benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 158520817
4-[[[5-(1,3-Benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;bis(4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol);6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 159542594
1-[4-[[[5-(1,3-Benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol
CID 160584421

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?
The IUPAC name of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline (CID 160838917) is 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline.
What is the SMILES notation for 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?
The canonical SMILES for 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline is COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(C)c1O.COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(O)c1C.Cc1cc(-c2ncccc2-c2ccc3ncncc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1.
What is the InChIKey of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?
The InChIKey is SHTPOISEBYILNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24FN3O2S.C22H17N3O.C22H17N3.C20H14FN3.C20H15N3/c1-16-9-20(4-6-23(16)29)27-22(19-5-7-24-26(11-19)35-15-32-24)12-21(14-31-27)30-13-18-8-17(2)28(33)25(10-18)34-3;1-16-8-20(4-6-23(16)29)28-22(19-5-7-24-27(11-19)35-15-32-24)12-21(14-31-28)30-13-18-9-25(33)17(2)26(10-18)34-3;26-22-19-12-16(8-9-20(19)24-13-25-22)18-5-2-10-23-21(18)17-4-1-3-15(11-17)14-6-7-14;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-13-9-15(4-6-18(13)21)20-17(3-2-8-23-20)14-5-7-19-16(10-14)11-22-12-24-19;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h2*4-12,14-15,30,33H,13H2,1-3H3;1-5,8-14H,6-7H2,(H,24,25,26);1-5,8-15H,6-7H2;2-12H,1H3;2-13H,1H3.
What are the key properties of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?
4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline has a molecular weight of 2246.68 g/mol, XLogP of 33.45, 22 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline is sourced from PubChem (CID 160838917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).