N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide

C15H22N4O2S — CID 663805

IUPACN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide
SMILESO=C(CCC(=O)NC1CC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C15H22N4O2S/c20-12(16-11-6-7-11)8-9-13(21)17-15-19-18-14(22-15)10-4-2-1-3-5-10/h10-11H,1-9H2,(H,16,20)(H,17,19,21)
InChIKeyFQAPIEYRVFKFPV-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.58
Rot. Bonds6

About N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide (PubChem CID 663805) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide
PubChem CID663805
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide
SMILESO=C(CCC(=O)NC1CC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C15H22N4O2S/c20-12(16-11-6-7-11)8-9-13(21)17-15-19-18-14(22-15)10-4-2-1-3-5-10/h10-11H,1-9H2,(H,16,20)(H,17,19,21)
InChIKeyFQAPIEYRVFKFPV-UHFFFAOYSA-N
XLogP2.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide?
The IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide (CID 663805) is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide.
What is the SMILES notation for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide?
The canonical SMILES for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide is O=C(CCC(=O)NC1CC1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide?
The InChIKey is FQAPIEYRVFKFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c20-12(16-11-6-7-11)8-9-13(21)17-15-19-18-14(22-15)10-4-2-1-3-5-10/h10-11H,1-9H2,(H,16,20)(H,17,19,21).
What are the key properties of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide?
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide has a molecular weight of 322.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-cyclopropylbutanediamide is sourced from PubChem (CID 663805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).