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

C18H14ClN3O3S — CID 55804728

IUPACN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H14ClN3O3S/c19-13-8-11(5-6-12(13)16(23)20-10-3-4-10)21-17(24)14-9-26-18(22-14)15-2-1-7-25-15/h1-2,5-10H,3-4H2,(H,20,23)(H,21,24)
InChIKeyGEAVOEBMQJPTQH-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.20
Rot. Bonds5

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

N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55804728) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID55804728
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H14ClN3O3S/c19-13-8-11(5-6-12(13)16(23)20-10-3-4-10)21-17(24)14-9-26-18(22-14)15-2-1-7-25-15/h1-2,5-10H,3-4H2,(H,20,23)(H,21,24)
InChIKeyGEAVOEBMQJPTQH-UHFFFAOYSA-N
XLogP4.20
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36817379
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-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 33347805
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 32869605
N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340
2-(aminomethyl)-N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119713279
N-(2-cyclopentyloxyphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52656400
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36862622
2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55673130
N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52655029
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 55804728) is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1csc(-c2ccco2)n1.
What is the InChIKey of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GEAVOEBMQJPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-13-8-11(5-6-12(13)16(23)20-10-3-4-10)21-17(24)14-9-26-18(22-14)15-2-1-7-25-15/h1-2,5-10H,3-4H2,(H,20,23)(H,21,24).
What are the key properties of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55804728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).