3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C13H20N2OS — CID 39855016

IUPAC3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CCC2CCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-14-8-12(17-10)9-15-13(16)7-6-11-4-2-3-5-11/h8,11H,2-7,9H2,1H3,(H,15,16)
InChIKeyHLYKUFHRONUGRG-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.04
Rot. Bonds5

About 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 39855016) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID39855016
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CCC2CCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-14-8-12(17-10)9-15-13(16)7-6-11-4-2-3-5-11/h8,11H,2-7,9H2,1H3,(H,15,16)
InChIKeyHLYKUFHRONUGRG-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 110933364
N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 25481539
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 109482285
N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
CID 56904419
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 39855016) is 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)CCC2CCCC2)s1.
What is the InChIKey of 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is HLYKUFHRONUGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-14-8-12(17-10)9-15-13(16)7-6-11-4-2-3-5-11/h8,11H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 252.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 39855016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).