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

C14H10BrN3O2S — CID 16933440

IUPAC4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,19)
InChIKeyDRENYASEZAKDBV-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.08
Rot. Bonds2

About 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 16933440) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID16933440
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,19)
InChIKeyDRENYASEZAKDBV-UHFFFAOYSA-N
XLogP3.08
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 16933442
2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933497
4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 53019448
2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide
CID 16933508
ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
CID 16933416
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide
CID 16933450
3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
CID 16933458
4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933569
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 10636935
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 60781391

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 16933440) is 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is DRENYASEZAKDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,19).
What are the key properties of 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 364.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 16933440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).