2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

C16H13ClN2O3S — CID 110929005

IUPAC2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H13ClN2O3S/c17-11-5-2-1-4-10(11)16-19-12(9-23-16)15(21)18-8-13(20)14-6-3-7-22-14/h1-7,9,13,20H,8H2,(H,18,21)
InChIKeyRBXKVNHVFANGCT-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.52
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (PubChem CID 110929005) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
PubChem CID110929005
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H13ClN2O3S/c17-11-5-2-1-4-10(11)16-19-12(9-23-16)15(21)18-8-13(20)14-6-3-7-22-14/h1-7,9,13,20H,8H2,(H,18,21)
InChIKeyRBXKVNHVFANGCT-UHFFFAOYSA-N
XLogP3.52
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
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N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119496538
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
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(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
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1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
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2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
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N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 86911956
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (CID 110929005) is 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is O=C(NCC(O)c1ccco1)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RBXKVNHVFANGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-11-5-2-1-4-10(11)16-19-12(9-23-16)15(21)18-8-13(20)14-6-3-7-22-14/h1-7,9,13,20H,8H2,(H,18,21).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110929005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).