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

C14H20N2O4S — CID 119214688

IUPAC2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCCc1nc(C)c(C(=O)NC2(CC(=O)O)CCOCC2)s1
InChIInChI=1S/C14H20N2O4S/c1-3-10-15-9(2)12(21-10)13(19)16-14(8-11(17)18)4-6-20-7-5-14/h3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUBAFTMUIZFJXTK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.77
Rot. Bonds5

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

2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 119214688) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID119214688
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCCc1nc(C)c(C(=O)NC2(CC(=O)O)CCOCC2)s1
InChIInChI=1S/C14H20N2O4S/c1-3-10-15-9(2)12(21-10)13(19)16-14(8-11(17)18)4-6-20-7-5-14/h3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUBAFTMUIZFJXTK-UHFFFAOYSA-N
XLogP1.77
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214814
2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215709
4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542951
1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544431
2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521521
2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215163
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215655
2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386
2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848305
2-[4-(ethylamino)oxepan-4-yl]acetic acid
CID 65234090
2-[4-[(3-methyl-5-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 120686766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid (CID 119214688) is 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid is CCc1nc(C)c(C(=O)NC2(CC(=O)O)CCOCC2)s1.
What is the InChIKey of 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is UBAFTMUIZFJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-10-15-9(2)12(21-10)13(19)16-14(8-11(17)18)4-6-20-7-5-14/h3-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).