N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C15H11BrN2O2S — CID 52655029

IUPACN-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C15H11BrN2O2S/c1-9-4-5-10(16)7-11(9)17-14(19)12-8-21-15(18-12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19)
InChIKeyWVGQJACETYMXFG-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.73
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 52655029) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID52655029
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC NameN-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C15H11BrN2O2S/c1-9-4-5-10(16)7-11(9)17-14(19)12-8-21-15(18-12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19)
InChIKeyWVGQJACETYMXFG-UHFFFAOYSA-N
XLogP4.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
2-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
CID 78927834
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
N-(3-fluorophenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36654704
N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 15995144
N-(2,4-dibromophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24663211
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
2-(furan-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36808320
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36817379

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 52655029) is N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(Br)cc1NC(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WVGQJACETYMXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c1-9-4-5-10(16)7-11(9)17-14(19)12-8-21-15(18-12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52655029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).