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

C10H12ClF2NS — CID 130485088

IUPAC5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole
SMILESFC1(F)CCCC(c2ncc(CCl)s2)C1
InChIInChI=1S/C10H12ClF2NS/c11-5-8-6-14-9(15-8)7-2-1-3-10(12,13)4-7/h6-7H,1-5H2
InChIKeyRVHSQBANJRENKU-UHFFFAOYSA-N
MW251.73 g/mol
LogP4.17
Rot. Bonds2

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

5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole (PubChem CID 130485088) has the molecular formula C10H12ClF2NS and a molecular weight of 251.73 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole
PubChem CID130485088
Molecular FormulaC10H12ClF2NS
Molecular Weight251.73 g/mol
Exact Mass251.03
IUPAC Name5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole
SMILESFC1(F)CCCC(c2ncc(CCl)s2)C1
InChIInChI=1S/C10H12ClF2NS/c11-5-8-6-14-9(15-8)7-2-1-3-10(12,13)4-7/h6-7H,1-5H2
InChIKeyRVHSQBANJRENKU-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 54.17
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-difluorocyclohexyl)-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole (CID 130485088) is 5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole is FC1(F)CCCC(c2ncc(CCl)s2)C1.
What is the InChIKey of 5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole?
The InChIKey is RVHSQBANJRENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NS/c11-5-8-6-14-9(15-8)7-2-1-3-10(12,13)4-7/h6-7H,1-5H2.
What are the key properties of 5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole?
5-(chloromethyl)-2-(3,3-difluorocyclohexyl)-1,3-thiazole has a molecular weight of 251.73 g/mol, XLogP of 4.17, 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-difluorocyclohexyl)-1,3-thiazole is sourced from PubChem (CID 130485088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).