4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid

C14H22N2O3S — CID 65199713

IUPAC4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)c1csc(C)n1)CCC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-3-4-11(5-6-13(17)18)7-8-15-14(19)12-9-20-10(2)16-12/h9,11H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyZEYHMGBRHHQSCP-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.85
Rot. Bonds9

About 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid

4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid (PubChem CID 65199713) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
PubChem CID65199713
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)c1csc(C)n1)CCC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-3-4-11(5-6-13(17)18)7-8-15-14(19)12-9-20-10(2)16-12/h9,11H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyZEYHMGBRHHQSCP-UHFFFAOYSA-N
XLogP2.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic 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

4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 65199664
4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid
CID 65214664
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 82684188
6-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-ethylhexanoic acid
CID 66390146
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
3-[[2-(2-methylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 82033235

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid (CID 65199713) is 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid is CCCC(CCNC(=O)c1csc(C)n1)CCC(=O)O.
What is the InChIKey of 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid?
The InChIKey is ZEYHMGBRHHQSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-4-11(5-6-13(17)18)7-8-15-14(19)12-9-20-10(2)16-12/h9,11H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid?
4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid is sourced from PubChem (CID 65199713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).