5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide

C16H12BrN3O3S — CID 55775292

IUPAC5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H12BrN3O3S/c1-9-8-12(17)23-13(9)15(22)19-11-4-2-10(3-5-11)14(21)20-16-18-6-7-24-16/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyLBYWUAGQIFRKPZ-UHFFFAOYSA-N
MW406.26 g/mol
LogP4.31
Rot. Bonds4

About 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide

5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 55775292) has the molecular formula C16H12BrN3O3S and a molecular weight of 406.26 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID55775292
Molecular FormulaC16H12BrN3O3S
Molecular Weight406.26 g/mol
Exact Mass404.98
IUPAC Name5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H12BrN3O3S/c1-9-8-12(17)23-13(9)15(22)19-11-4-2-10(3-5-11)14(21)20-16-18-6-7-24-16/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyLBYWUAGQIFRKPZ-UHFFFAOYSA-N
XLogP4.31
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46439366
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361445
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
CID 110922851
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669637
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
2-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55602031
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 55775292) is 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide is Cc1cc(Br)oc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is LBYWUAGQIFRKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3S/c1-9-8-12(17)23-13(9)15(22)19-11-4-2-10(3-5-11)14(21)20-16-18-6-7-24-16/h2-8H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 406.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55775292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).