2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole

C10H13F2NS — CID 170068177

IUPAC2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2NS/c1-7-6-14-9(13-7)8-2-4-10(11,12)5-3-8/h6,8H,2-5H2,1H3
InChIKeyGZZYWMHFDOONMQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP3.74
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole

2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole (PubChem CID 170068177) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole
PubChem CID170068177
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2NS/c1-7-6-14-9(13-7)8-2-4-10(11,12)5-3-8/h6,8H,2-5H2,1H3
InChIKeyGZZYWMHFDOONMQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole (CID 170068177) is 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole is Cc1csc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole?
The InChIKey is GZZYWMHFDOONMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-7-6-14-9(13-7)8-2-4-10(11,12)5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole?
2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole has a molecular weight of 217.28 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 170068177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).