3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C30H24N4O4S2 — CID 23886211

IUPAC3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4nc5ccccc5s4)c(N)c23)cc(OC)c1OC
InChIInChI=1S/C30H24N4O4S2/c1-36-21-13-17(14-22(37-2)26(21)38-3)18-15-20(16-9-5-4-6-10-16)32-29-24(18)25(31)27(40-29)28(35)34-30-33-19-11-7-8-12-23(19)39-30/h4-15H,31H2,1-3H3,(H,33,34,35)
InChIKeyWQHITKCJCNYKTR-UHFFFAOYSA-N
MW568.68 g/mol
LogP7.10
Rot. Bonds7

About 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23886211) has the molecular formula C30H24N4O4S2 and a molecular weight of 568.68 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23886211
Molecular FormulaC30H24N4O4S2
Molecular Weight568.68 g/mol
Exact Mass568.12
IUPAC Name3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4nc5ccccc5s4)c(N)c23)cc(OC)c1OC
InChIInChI=1S/C30H24N4O4S2/c1-36-21-13-17(14-22(37-2)26(21)38-3)18-15-20(16-9-5-4-6-10-16)32-29-24(18)25(31)27(40-29)28(35)34-30-33-19-11-7-8-12-23(19)39-30/h4-15H,31H2,1-3H3,(H,33,34,35)
InChIKeyWQHITKCJCNYKTR-UHFFFAOYSA-N
XLogP7.10
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-4-(2,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743001
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 15992244
3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743028
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23998031
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22597648

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23886211) is 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4nc5ccccc5s4)c(N)c23)cc(OC)c1OC.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WQHITKCJCNYKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4S2/c1-36-21-13-17(14-22(37-2)26(21)38-3)18-15-20(16-9-5-4-6-10-16)32-29-24(18)25(31)27(40-29)28(35)34-30-33-19-11-7-8-12-23(19)39-30/h4-15H,31H2,1-3H3,(H,33,34,35).
What are the key properties of 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 568.68 g/mol, XLogP of 7.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23886211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).