5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole

C11H16ClNS — CID 66036030

IUPAC5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC2(CCl)CCCC2)s1
InChIInChI=1S/C11H16ClNS/c1-9-13-7-10(14-9)6-11(8-12)4-2-3-5-11/h7H,2-6,8H2,1H3
InChIKeyAXGHMAYENXOLPN-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.79
Rot. Bonds3

About 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole

5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole (PubChem CID 66036030) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole
PubChem CID66036030
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC2(CCl)CCCC2)s1
InChIInChI=1S/C11H16ClNS/c1-9-13-7-10(14-9)6-11(8-12)4-2-3-5-11/h7H,2-6,8H2,1H3
InChIKeyAXGHMAYENXOLPN-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole (CID 66036030) is 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(CC2(CCl)CCCC2)s1.
What is the InChIKey of 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is AXGHMAYENXOLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-9-13-7-10(14-9)6-11(8-12)4-2-3-5-11/h7H,2-6,8H2,1H3.
What are the key properties of 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole?
5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 229.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 66036030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).