(E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C12H16N2OS — CID 26017374

IUPAC(E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC2CCCC2)cs1
InChIInChI=1S/C12H16N2OS/c1-9-13-11(8-16-9)6-7-12(15)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15)/b7-6+
InChIKeyWFNRGKMUZPQBSS-VOTSOKGWSA-N
MW236.34 g/mol
LogP2.52
Rot. Bonds3

About (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 26017374) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID26017374
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC2CCCC2)cs1
InChIInChI=1S/C12H16N2OS/c1-9-13-11(8-16-9)6-7-12(15)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15)/b7-6+
InChIKeyWFNRGKMUZPQBSS-VOTSOKGWSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 26017374) is (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)NC2CCCC2)cs1.
What is the InChIKey of (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is WFNRGKMUZPQBSS-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-13-11(8-16-9)6-7-12(15)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15)/b7-6+.
What are the key properties of (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 236.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 26017374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).