5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole

C9H10ClF2NS — CID 130485087

IUPAC5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole
SMILESFC1(F)CCC(c2ncc(CCl)s2)C1
InChIInChI=1S/C9H10ClF2NS/c10-4-7-5-13-8(14-7)6-1-2-9(11,12)3-6/h5-6H,1-4H2
InChIKeyDUGFNCCDJUQTMO-UHFFFAOYSA-N
MW237.70 g/mol
LogP3.78
Rot. Bonds2

About 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole

5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole (PubChem CID 130485087) has the molecular formula C9H10ClF2NS and a molecular weight of 237.70 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole
PubChem CID130485087
Molecular FormulaC9H10ClF2NS
Molecular Weight237.70 g/mol
Exact Mass237.02
IUPAC Name5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole
SMILESFC1(F)CCC(c2ncc(CCl)s2)C1
InChIInChI=1S/C9H10ClF2NS/c10-4-7-5-13-8(14-7)6-1-2-9(11,12)3-6/h5-6H,1-4H2
InChIKeyDUGFNCCDJUQTMO-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 53.78
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-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole (CID 130485087) is 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole is FC1(F)CCC(c2ncc(CCl)s2)C1.
What is the InChIKey of 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole?
The InChIKey is DUGFNCCDJUQTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NS/c10-4-7-5-13-8(14-7)6-1-2-9(11,12)3-6/h5-6H,1-4H2.
What are the key properties of 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole?
5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole has a molecular weight of 237.70 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3,3-difluorocyclopentyl)-1,3-thiazole is sourced from PubChem (CID 130485087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).