2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole

C15H16F2N2S — CID 139479656

IUPAC2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1CCC(c2nnc(-c3ccc(F)cc3F)s2)CC1
InChIInChI=1S/C15H16F2N2S/c1-9-2-4-10(5-3-9)14-18-19-15(20-14)12-7-6-11(16)8-13(12)17/h6-10H,2-5H2,1H3
InChIKeyJTYQHJZZEDWELS-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.78
Rot. Bonds2

About 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole

2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole (PubChem CID 139479656) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
PubChem CID139479656
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1CCC(c2nnc(-c3ccc(F)cc3F)s2)CC1
InChIInChI=1S/C15H16F2N2S/c1-9-2-4-10(5-3-9)14-18-19-15(20-14)12-7-6-11(16)8-13(12)17/h6-10H,2-5H2,1H3
InChIKeyJTYQHJZZEDWELS-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol
CID 143452203
5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133382464
2-(4-fluorophenyl)-5-(4-pentylcyclohexyl)-1,3,4-thiadiazole
CID 153428373
2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole
CID 143451926
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380811
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61337891
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
CID 62125233
2-chloro-5-(2,5-difluorophenyl)-1,3,4-thiadiazole
CID 63385959
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluoroaniline
CID 114354376
2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62795811

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole (CID 139479656) is 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole is CC1CCC(c2nnc(-c3ccc(F)cc3F)s2)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole?
The InChIKey is JTYQHJZZEDWELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c1-9-2-4-10(5-3-9)14-18-19-15(20-14)12-7-6-11(16)8-13(12)17/h6-10H,2-5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole?
2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole has a molecular weight of 294.37 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139479656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).