2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid

C14H18N2O3S — CID 77103531

IUPAC2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(C=CC(=O)NCC2CCCC2C(=O)O)cs1
InChIInChI=1S/C14H18N2O3S/c1-9-16-11(8-20-9)5-6-13(17)15-7-10-3-2-4-12(10)14(18)19/h5-6,8,10,12H,2-4,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyCZVYQOVCDQWQJH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.08
Rot. Bonds5

About 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 77103531) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID77103531
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(C=CC(=O)NCC2CCCC2C(=O)O)cs1
InChIInChI=1S/C14H18N2O3S/c1-9-16-11(8-20-9)5-6-13(17)15-7-10-3-2-4-12(10)14(18)19/h5-6,8,10,12H,2-4,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyCZVYQOVCDQWQJH-UHFFFAOYSA-N
XLogP2.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic 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

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 77104632
(E)-N-(cyclopentylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 39210473
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 47142635
(E)-N-[(2R)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 83058567
(E)-N-(2-ethylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115612896
2-[[3-(2-bromophenyl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103572
2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103563
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
N-[(3-hydroxythiolan-3-yl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 111597339
(E)-N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 100899597
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
5-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]pentanoic acid
CID 77016475

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid (CID 77103531) is 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid is Cc1nc(C=CC(=O)NCC2CCCC2C(=O)O)cs1.
What is the InChIKey of 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is CZVYQOVCDQWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-16-11(8-20-9)5-6-13(17)15-7-10-3-2-4-12(10)14(18)19/h5-6,8,10,12H,2-4,7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 77103531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).