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

C13H18N2O2S — CID 62519485

IUPAC(E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC2(CO)CCCC2)cs1
InChIInChI=1S/C13H18N2O2S/c1-10-14-11(8-18-10)4-5-12(17)15-13(9-16)6-2-3-7-13/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,15,17)/b5-4+
InChIKeyLEDLIQCOGKXYLX-SNAWJCMRSA-N
MW266.37 g/mol
LogP1.89
Rot. Bonds4

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

(E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 62519485) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID62519485
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC2(CO)CCCC2)cs1
InChIInChI=1S/C13H18N2O2S/c1-10-14-11(8-18-10)4-5-12(17)15-13(9-16)6-2-3-7-13/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,15,17)/b5-4+
InChIKeyLEDLIQCOGKXYLX-SNAWJCMRSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
CID 160668681
(E)-N-(cyclopentylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 39210473
1-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43245289
1-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 43351014
(E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 43417953
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 43500639
2-methyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]pentanoic acid
CID 43618884
(E)-N-(2-methylpentan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 49366029
(E)-N-(2-hydroxycyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55064316
(E)-N-(2-cyclopropyl-2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55172746
N-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 61246060
(E)-N-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 64558337

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 62519485) is (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)NC2(CO)CCCC2)cs1.
What is the InChIKey of (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is LEDLIQCOGKXYLX-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10-14-11(8-18-10)4-5-12(17)15-13(9-16)6-2-3-7-13/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,15,17)/b5-4+.
What are the key properties of (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 266.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(hydroxymethyl)cyclopentyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 62519485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).