1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

C15H22N4OS — CID 60583972

IUPAC1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2(C#N)CCCCC2)s1
InChIInChI=1S/C15H22N4OS/c1-3-11(4-2)12-18-19-14(21-12)17-13(20)15(10-16)8-6-5-7-9-15/h11H,3-9H2,1-2H3,(H,17,19,20)
InChIKeyNEKYMSNLDWVWDA-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.85
Rot. Bonds5

About 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 60583972) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID60583972
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2(C#N)CCCCC2)s1
InChIInChI=1S/C15H22N4OS/c1-3-11(4-2)12-18-19-14(21-12)17-13(20)15(10-16)8-6-5-7-9-15/h11H,3-9H2,1-2H3,(H,17,19,20)
InChIKeyNEKYMSNLDWVWDA-UHFFFAOYSA-N
XLogP3.85
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 60583972) is 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is CCC(CC)c1nnc(NC(=O)C2(C#N)CCCCC2)s1.
What is the InChIKey of 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is NEKYMSNLDWVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-11(4-2)12-18-19-14(21-12)17-13(20)15(10-16)8-6-5-7-9-15/h11H,3-9H2,1-2H3,(H,17,19,20).
What are the key properties of 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60583972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).