2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C17H16N2O4S — CID 111115525

IUPAC2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2csc(-c3ccco3)n2)c1
InChIInChI=1S/C17H16N2O4S/c1-22-12-5-2-4-11(8-12)14(20)9-18-16(21)13-10-24-17(19-13)15-6-3-7-23-15/h2-8,10,14,20H,9H2,1H3,(H,18,21)
InChIKeyHRMUPNBVKNGJJS-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.88
Rot. Bonds6

About 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 111115525) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID111115525
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2csc(-c3ccco3)n2)c1
InChIInChI=1S/C17H16N2O4S/c1-22-12-5-2-4-11(8-12)14(20)9-18-16(21)13-10-24-17(19-13)15-6-3-7-23-15/h2-8,10,14,20H,9H2,1H3,(H,18,21)
InChIKeyHRMUPNBVKNGJJS-UHFFFAOYSA-N
XLogP2.88
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 111115498
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119765495
(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110308725
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42922685

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 111115525) is 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1cccc(C(O)CNC(=O)c2csc(-c3ccco3)n2)c1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HRMUPNBVKNGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-12-5-2-4-11(8-12)14(20)9-18-16(21)13-10-24-17(19-13)15-6-3-7-23-15/h2-8,10,14,20H,9H2,1H3,(H,18,21).
What are the key properties of 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111115525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).