2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid

C13H14N2O4S — CID 119206330

IUPAC2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C13H14N2O4S/c1-3-15(6-11(16)17)13(18)9-7-20-12(14-9)10-5-4-8(2)19-10/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyCJCUJRRAIOAAHX-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.26
Rot. Bonds5

About 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 119206330) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID119206330
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C13H14N2O4S/c1-3-15(6-11(16)17)13(18)9-7-20-12(14-9)10-5-4-8(2)19-10/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyCJCUJRRAIOAAHX-UHFFFAOYSA-N
XLogP2.26
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198555
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 109388495
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-benzyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 38416150
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 110003312

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 119206330) is 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1csc(-c2ccc(C)o2)n1.
What is the InChIKey of 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is CJCUJRRAIOAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-3-15(6-11(16)17)13(18)9-7-20-12(14-9)10-5-4-8(2)19-10/h4-5,7H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119206330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).