2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C13H10ClN3O2S — CID 18891698

IUPAC2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2n(c1=O)CCS2)c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2S/c14-9-4-2-1-3-8(9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-4,7H,5-6H2,(H,16,18)
InChIKeySVTMWAQNQJJEDQ-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 18891698) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID18891698
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2n(c1=O)CCS2)c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2S/c14-9-4-2-1-3-8(9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-4,7H,5-6H2,(H,16,18)
InChIKeySVTMWAQNQJJEDQ-UHFFFAOYSA-N
XLogP2.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3568365
N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46175391
dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate
CID 3236355
2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 18891701
2-chloro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 18891470
5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42496021
N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3707978
N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24655107
methyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 5180653
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
N-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 26771500
5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24515603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 18891698) is 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is O=C(Nc1cnc2n(c1=O)CCS2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is SVTMWAQNQJJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-9-4-2-1-3-8(9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-4,7H,5-6H2,(H,16,18).
What are the key properties of 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 307.76 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 18891698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).