2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid

C12H12N2O4S — CID 61021145

IUPAC2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c1-2-14(6-10(15)16)12(17)8-7-19-11(13-8)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyUVLSZXNMEFDCPR-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.95
Rot. Bonds5

About 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 61021145) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID61021145
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c1-2-14(6-10(15)16)12(17)8-7-19-11(13-8)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyUVLSZXNMEFDCPR-UHFFFAOYSA-N
XLogP1.95
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 46546819
N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 137296733
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 107202197
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 61021145) is 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is UVLSZXNMEFDCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-2-14(6-10(15)16)12(17)8-7-19-11(13-8)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 61021145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).