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

C17H12N4O2S2 — CID 54770856

IUPAC3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(-c2nccs2)c1)n1sc2ncccc2c1=O
InChIInChI=1S/C17H12N4O2S2/c22-16-13-5-2-6-18-15(13)25-21(16)17(23)20-10-11-3-1-4-12(9-11)14-19-7-8-24-14/h1-9H,10H2,(H,20,23)
InChIKeyIYWRRUNBCWSFFR-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.34
Rot. Bonds3

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

3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 54770856) has the molecular formula C17H12N4O2S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID54770856
Molecular FormulaC17H12N4O2S2
Molecular Weight368.44 g/mol
Exact Mass368.04
IUPAC Name3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(-c2nccs2)c1)n1sc2ncccc2c1=O
InChIInChI=1S/C17H12N4O2S2/c22-16-13-5-2-6-18-15(13)25-21(16)17(23)20-10-11-3-1-4-12(9-11)14-19-7-8-24-14/h1-9H,10H2,(H,20,23)
InChIKeyIYWRRUNBCWSFFR-UHFFFAOYSA-N
XLogP3.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide with MolForge

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Related Compounds

4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 144669416
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70651205
2,2-diphenyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 54774183
N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54771315
N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70650678
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
CID 110690313
2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione
CID 50878146
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 166429237
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 54770856) is 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is O=C(NCc1cccc(-c2nccs2)c1)n1sc2ncccc2c1=O.
What is the InChIKey of 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is IYWRRUNBCWSFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S2/c22-16-13-5-2-6-18-15(13)25-21(16)17(23)20-10-11-3-1-4-12(9-11)14-19-7-8-24-14/h1-9H,10H2,(H,20,23).
What are the key properties of 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 54770856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).