2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole

C8H9ClF2N2S — CID 130487827

IUPAC2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole
SMILESFC1(F)CCCC(c2nnc(Cl)s2)C1
InChIInChI=1S/C8H9ClF2N2S/c9-7-13-12-6(14-7)5-2-1-3-8(10,11)4-5/h5H,1-4H2
InChIKeyBZMBGJSPAXMJKW-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.48
Rot. Bonds1

About 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole

2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole (PubChem CID 130487827) has the molecular formula C8H9ClF2N2S and a molecular weight of 238.69 g/mol. Its IUPAC name is 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole
PubChem CID130487827
Molecular FormulaC8H9ClF2N2S
Molecular Weight238.69 g/mol
Exact Mass238.01
IUPAC Name2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole
SMILESFC1(F)CCCC(c2nnc(Cl)s2)C1
InChIInChI=1S/C8H9ClF2N2S/c9-7-13-12-6(14-7)5-2-1-3-8(10,11)4-5/h5H,1-4H2
InChIKeyBZMBGJSPAXMJKW-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole (CID 130487827) is 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole is FC1(F)CCCC(c2nnc(Cl)s2)C1.
What is the InChIKey of 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole?
The InChIKey is BZMBGJSPAXMJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2S/c9-7-13-12-6(14-7)5-2-1-3-8(10,11)4-5/h5H,1-4H2.
What are the key properties of 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole?
2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole has a molecular weight of 238.69 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,3-difluorocyclohexyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130487827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).