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

C13H21N3OS — CID 903243

IUPAC3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-2-12-15-16-13(18-12)14-11(17)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,14,16,17)
InChIKeyBIUZXNYXYYHXPW-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.40
Rot. Bonds5

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

3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 903243) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID903243
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-2-12-15-16-13(18-12)14-11(17)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,14,16,17)
InChIKeyBIUZXNYXYYHXPW-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.40
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-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 903243) is 3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCC2CCCCC2)s1.
What is the InChIKey of 3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BIUZXNYXYYHXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-12-15-16-13(18-12)14-11(17)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,14,16,17).
What are the key properties of 3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 267.40 g/mol, XLogP of 3.40, 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-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 903243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).