2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid

C13H14N2O4S — CID 119200876

IUPAC2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1csc(-c2ccoc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-13(2,12(17)18)15(3)11(16)9-7-20-10(14-9)8-4-5-19-6-8/h4-7H,1-3H3,(H,17,18)
InChIKeyNHKPCYUGVYLESL-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.34
Rot. Bonds4

About 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid

2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119200876) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID119200876
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1csc(-c2ccoc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-13(2,12(17)18)15(3)11(16)9-7-20-10(14-9)8-4-5-19-6-8/h4-7H,1-3H3,(H,17,18)
InChIKeyNHKPCYUGVYLESL-UHFFFAOYSA-N
XLogP2.34
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Furan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 50990526
2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 71932200
2-(Furan-3-YL)-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 71932201
2-(furan-3-yl)-N-(oxan-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 72004241
2-[2-(Furan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 53621253
2,2,2-trifluoro-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)ethanamine
CID 56788628
3-[[2-(Furan-3-yl)-1,3-thiazol-4-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 75381263
2-[2-(Furan-3-YL)-1,3-thiazol-4-YL]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-YL]ethanone
CID 91649876
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 99698412
(3S)-4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methyl-1,4-diazepan-2-one
CID 164640226
N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 171357971
N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 171357980

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid (CID 119200876) is 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)c1csc(-c2ccoc2)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is NHKPCYUGVYLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-13(2,12(17)18)15(3)11(16)9-7-20-10(14-9)8-4-5-19-6-8/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).