N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide

C11H15BrN2OS — CID 114311521

IUPACN-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2(CBr)CCCC2)cs1
InChIInChI=1S/C11H15BrN2OS/c1-8-13-9(6-16-8)10(15)14-11(7-12)4-2-3-5-11/h6H,2-5,7H2,1H3,(H,14,15)
InChIKeyHZBGCOWNYMDWCF-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 114311521) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID114311521
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2(CBr)CCCC2)cs1
InChIInChI=1S/C11H15BrN2OS/c1-8-13-9(6-16-8)10(15)14-11(7-12)4-2-3-5-11/h6H,2-5,7H2,1H3,(H,14,15)
InChIKeyHZBGCOWNYMDWCF-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.89
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-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 114311521) is N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2(CBr)CCCC2)cs1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HZBGCOWNYMDWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-8-13-9(6-16-8)10(15)14-11(7-12)4-2-3-5-11/h6H,2-5,7H2,1H3,(H,14,15).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114311521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).