N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H10BrN3O2S — CID 94042026

IUPACN-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H10BrN3O2S/c15-10-3-1-2-9(6-10)7-16-12(19)11-8-17-14-18(13(11)20)4-5-21-14/h1-6,8H,7H2,(H,16,19)
InChIKeyODFGBWFZEXIIDD-UHFFFAOYSA-N
MW364.22 g/mol
LogP2.45
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 94042026) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID94042026
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC NameN-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H10BrN3O2S/c15-10-3-1-2-9(6-10)7-16-12(19)11-8-17-14-18(13(11)20)4-5-21-14/h1-6,8H,7H2,(H,16,19)
InChIKeyODFGBWFZEXIIDD-UHFFFAOYSA-N
XLogP2.45
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46424715
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
N-[2-(3-chlorophenyl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18114702
5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51112071
N-[(5-methylfuran-2-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363937
N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3573765
5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46449981
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47049114
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227
N-[(3-bromophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857821
5-oxo-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131928804
N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179613

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 94042026) is N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1cccc(Br)c1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ODFGBWFZEXIIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c15-10-3-1-2-9(6-10)7-16-12(19)11-8-17-14-18(13(11)20)4-5-21-14/h1-6,8H,7H2,(H,16,19).
What are the key properties of N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 364.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 94042026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).