N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C12H17ClN2OS — CID 106127337

IUPACN-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCC(Cl)C2)s1
InChIInChI=1S/C12H17ClN2OS/c1-7-11(17-8(2)15-7)12(16)14-6-9-3-4-10(13)5-9/h9-10H,3-6H2,1-2H3,(H,14,16)
InChIKeyYGBNYJOKVYYKBL-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.90
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 106127337) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID106127337
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCC(Cl)C2)s1
InChIInChI=1S/C12H17ClN2OS/c1-7-11(17-8(2)15-7)12(16)14-6-9-3-4-10(13)5-9/h9-10H,3-6H2,1-2H3,(H,14,16)
InChIKeyYGBNYJOKVYYKBL-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 106127337) is N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCC(Cl)C2)s1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YGBNYJOKVYYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-7-11(17-8(2)15-7)12(16)14-6-9-3-4-10(13)5-9/h9-10H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106127337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).