N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H7BrFN3O2S — CID 3573765

IUPACN-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cnc2sccn2c1=O
InChIInChI=1S/C13H7BrFN3O2S/c14-7-1-2-10(9(15)5-7)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-6H,(H,17,19)
InChIKeyVPDMTPUUWXJPSD-UHFFFAOYSA-N
MW368.19 g/mol
LogP2.91
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3573765) has the molecular formula C13H7BrFN3O2S and a molecular weight of 368.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3573765
Molecular FormulaC13H7BrFN3O2S
Molecular Weight368.19 g/mol
Exact Mass366.94
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cnc2sccn2c1=O
InChIInChI=1S/C13H7BrFN3O2S/c14-7-1-2-10(9(15)5-7)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-6H,(H,17,19)
InChIKeyVPDMTPUUWXJPSD-UHFFFAOYSA-N
XLogP2.91
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197620
N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179613
N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94042026
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46636324
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51277900
N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51253647
N-[5-(ethylcarbamoyl)-2-methylphenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131890652
N-[(3-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46424715
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62170659
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 134051683
5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47934472

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3573765) is N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cnc2sccn2c1=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VPDMTPUUWXJPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2S/c14-7-1-2-10(9(15)5-7)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-6H,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 368.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3573765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).