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

C11H15BrN2OS — CID 114317015

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCC1CBr)c1cscn1
InChIInChI=1S/C11H15BrN2OS/c12-4-8-2-1-3-9(8)5-13-11(15)10-6-16-7-14-10/h6-9H,1-5H2,(H,13,15)
InChIKeyCKTQULKYCXVXHC-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.68
Rot. Bonds4

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

N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 114317015) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID114317015
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCC1CBr)c1cscn1
InChIInChI=1S/C11H15BrN2OS/c12-4-8-2-1-3-9(8)5-13-11(15)10-6-16-7-14-10/h6-9H,1-5H2,(H,13,15)
InChIKeyCKTQULKYCXVXHC-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 102922809
4,5-dibromo-N-[[2-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 113276196
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-cyanopyridine-2-carboxamide
CID 114317417
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-[[2-(bromomethyl)cyclopentyl]methyl]isoquinoline-1-carboxamide
CID 114317088
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684545

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide (CID 114317015) is N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCCC1CBr)c1cscn1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CKTQULKYCXVXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-4-8-2-1-3-9(8)5-13-11(15)10-6-16-7-14-10/h6-9H,1-5H2,(H,13,15).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114317015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).