2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C16H13N3O3S — CID 36769984

IUPAC2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C16H13N3O3S/c1-17-14(20)10-4-6-11(7-5-10)18-15(21)12-9-23-16(19-12)13-3-2-8-22-13/h2-9H,1H3,(H,17,20)(H,18,21)
InChIKeyIBCZLHMURUBULF-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.02
Rot. Bonds4

About 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 36769984) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID36769984
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C16H13N3O3S/c1-17-14(20)10-4-6-11(7-5-10)18-15(21)12-9-23-16(19-12)13-3-2-8-22-13/h2-9H,1H3,(H,17,20)(H,18,21)
InChIKeyIBCZLHMURUBULF-UHFFFAOYSA-N
XLogP3.02
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 36744455
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36817379
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-(3-fluorophenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36654704
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 55804728
2-(furan-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 47045926
2-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
CID 78927834
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36862622
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 36769984) is 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IBCZLHMURUBULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-17-14(20)10-4-6-11(7-5-10)18-15(21)12-9-23-16(19-12)13-3-2-8-22-13/h2-9H,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36769984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).