2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C18H28F2N4S — CID 45377642

IUPAC2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFC1(F)CCC(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1
InChIInChI=1S/C18H28F2N4S/c19-18(20)8-4-14(5-9-18)16-21-22-17(25-16)24-12-6-15(7-13-24)23-10-2-1-3-11-23/h14-15H,1-13H2
InChIKeyWKQPRKYGMJLRNI-UHFFFAOYSA-N
MW370.51 g/mol
LogP4.29
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 45377642) has the molecular formula C18H28F2N4S and a molecular weight of 370.51 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID45377642
Molecular FormulaC18H28F2N4S
Molecular Weight370.51 g/mol
Exact Mass370.20
IUPAC Name2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFC1(F)CCC(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1
InChIInChI=1S/C18H28F2N4S/c19-18(20)8-4-14(5-9-18)16-21-22-17(25-16)24-12-6-15(7-13-24)23-10-2-1-3-11-23/h14-15H,1-13H2
InChIKeyWKQPRKYGMJLRNI-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 45377642) is 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is FC1(F)CCC(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is WKQPRKYGMJLRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N4S/c19-18(20)8-4-14(5-9-18)16-21-22-17(25-16)24-12-6-15(7-13-24)23-10-2-1-3-11-23/h14-15H,1-13H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 370.51 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 45377642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).