2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C15H12ClN3O2S — CID 647485

IUPAC2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN3O2S/c16-11-5-1-2-6-12(11)18-15-19-13(9-22-15)14(20)17-8-10-4-3-7-21-10/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyDXJZSITZSSFXCA-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.06
Rot. Bonds5

About 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 647485) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID647485
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN3O2S/c16-11-5-1-2-6-12(11)18-15-19-13(9-22-15)14(20)17-8-10-4-3-7-21-10/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyDXJZSITZSSFXCA-UHFFFAOYSA-N
XLogP4.06
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

{5-[(Furan-2-ylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trichloro-phenyl)-amine
CID 18672270
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
Furan-2-carboxylic acid {4-[(4-chloro-phenylcarbamoyl)-methyl]-thiazol-2-yl}-ethyl-amide
CID 648157
2-p-Tolylamino-thiazole-4-carboxylic acid (furan-2-ylmethyl)-amide
CID 649469
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496
2-[acetyl(2-furanylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-4-thiazolecarboxamide
CID 1079280
2-{4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-N-furan-2-ylmethyl-acetamide
CID 644688
N-(3-Chloro-4-fluoro-phenyl)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-succinamide
CID 654801
Furan-2-carboxylic acid methyl-(4-phenylcarbamoylmethyl-thiazol-2-yl)-amide
CID 859497
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxamide
CID 1096729
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
CID 1455394
N-[[5-[2-[[N'-(2-anilinoethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 11795160

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 647485) is 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DXJZSITZSSFXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c16-11-5-1-2-6-12(11)18-15-19-13(9-22-15)14(20)17-8-10-4-3-7-21-10/h1-7,9H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 647485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).