N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

C18H12N4OS — CID 121024375

IUPACN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccn1
InChIInChI=1S/C18H12N4OS/c23-16(14-4-1-2-10-19-14)21-13-8-6-12(7-9-13)17-22-15-5-3-11-20-18(15)24-17/h1-11H,(H,21,23)
InChIKeyZTZBRZMMKVRMHE-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.01
Rot. Bonds3

About N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 121024375) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID121024375
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccn1
InChIInChI=1S/C18H12N4OS/c23-16(14-4-1-2-10-19-14)21-13-8-6-12(7-9-13)17-22-15-5-3-11-20-18(15)24-17/h1-11H,(H,21,23)
InChIKeyZTZBRZMMKVRMHE-UHFFFAOYSA-N
XLogP4.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317
5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 121024443
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024334
5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
CID 121024439
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419
4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 121024336
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024411
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide
CID 121024420

Frequently Asked Questions

What is the IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 121024375) is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccn1.
What is the InChIKey of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZTZBRZMMKVRMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c23-16(14-4-1-2-10-19-14)21-13-8-6-12(7-9-13)17-22-15-5-3-11-20-18(15)24-17/h1-11H,(H,21,23).
What are the key properties of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 121024375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).