N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C13H10N4O2S — CID 10636935

IUPACN-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESNc1c(NC(=O)c2ccccc2)c(=O)nc2sccn12
InChIInChI=1S/C13H10N4O2S/c14-10-9(12(19)16-13-17(10)6-7-20-13)15-11(18)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,18)
InChIKeyLPXVJQUVXQJRJN-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.59
Rot. Bonds2

About N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 10636935) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound NameN-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID10636935
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESNc1c(NC(=O)c2ccccc2)c(=O)nc2sccn12
InChIInChI=1S/C13H10N4O2S/c14-10-9(12(19)16-13-17(10)6-7-20-13)15-11(18)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,18)
InChIKeyLPXVJQUVXQJRJN-UHFFFAOYSA-N
XLogP1.59
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 862011
5-aminoimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 83876178
5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 862007
4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933440
N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide
CID 46632626
2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714784
N-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 137316980
2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933497
N-acridin-9-ylbenzamide
CID 40532924
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
8-(6-phenylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyoctyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 11592429
6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 137304098

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 10636935) is N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Nc1c(NC(=O)c2ccccc2)c(=O)nc2sccn12.
What is the InChIKey of N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is LPXVJQUVXQJRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-10-9(12(19)16-13-17(10)6-7-20-13)15-11(18)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,18).
What are the key properties of N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 286.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 10636935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).