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

C21H13ClN4OS2 — CID 23772153

IUPAC3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C21H13ClN4OS2/c22-12-7-5-11(6-8-12)14-10-9-13-17(23)18(29-20(13)24-14)19(27)26-21-25-15-3-1-2-4-16(15)28-21/h1-10H,23H2,(H,25,26,27)
InChIKeyBPDRTBVIYYHEHQ-UHFFFAOYSA-N
MW436.95 g/mol
LogP6.06
Rot. Bonds3

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

3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23772153) has the molecular formula C21H13ClN4OS2 and a molecular weight of 436.95 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23772153
Molecular FormulaC21H13ClN4OS2
Molecular Weight436.95 g/mol
Exact Mass436.02
IUPAC Name3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C21H13ClN4OS2/c22-12-7-5-11(6-8-12)14-10-9-13-17(23)18(29-20(13)24-14)19(27)26-21-25-15-3-1-2-4-16(15)28-21/h1-10H,23H2,(H,25,26,27)
InChIKeyBPDRTBVIYYHEHQ-UHFFFAOYSA-N
XLogP6.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.95
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 15992244
3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23744153
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23886211
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23772153) is 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BPDRTBVIYYHEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4OS2/c22-12-7-5-11(6-8-12)14-10-9-13-17(23)18(29-20(13)24-14)19(27)26-21-25-15-3-1-2-4-16(15)28-21/h1-10H,23H2,(H,25,26,27).
What are the key properties of 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 6.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23772153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).