3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C14H23N3OS — CID 889545

IUPAC3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)c1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-10(2)13-16-17-14(19-13)15-12(18)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyHIBHJCRLGYMIAN-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.96
Rot. Bonds5

About 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 889545) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID889545
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)c1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-10(2)13-16-17-14(19-13)15-12(18)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyHIBHJCRLGYMIAN-UHFFFAOYSA-N
XLogP3.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 889545) is 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is CC(C)c1nnc(NC(=O)CCC2CCCCC2)s1.
What is the InChIKey of 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is HIBHJCRLGYMIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)13-16-17-14(19-13)15-12(18)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,17,18).
What are the key properties of 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 281.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 889545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).