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

C10H13ClN2OS — CID 106127398

IUPACN-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1cscn1
InChIInChI=1S/C10H13ClN2OS/c11-8-2-1-7(3-8)4-12-10(14)9-5-15-6-13-9/h5-8H,1-4H2,(H,12,14)
InChIKeyXWUJDPZLINLMRB-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.28
Rot. Bonds3

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

N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 106127398) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID106127398
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1cscn1
InChIInChI=1S/C10H13ClN2OS/c11-8-2-1-7(3-8)4-12-10(14)9-5-15-6-13-9/h5-8H,1-4H2,(H,12,14)
InChIKeyXWUJDPZLINLMRB-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.28
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]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide (CID 106127398) is N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCC(Cl)C1)c1cscn1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XWUJDPZLINLMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-8-2-1-7(3-8)4-12-10(14)9-5-15-6-13-9/h5-8H,1-4H2,(H,12,14).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 244.75 g/mol, XLogP of 2.28, 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]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106127398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).