3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

C16H22N4OS — CID 122275679

IUPAC3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H22N4OS/c21-16(7-6-13-4-2-1-3-5-13)17-10-14-11-20(19-18-14)15-8-9-22-12-15/h8-9,11-13H,1-7,10H2,(H,17,21)
InChIKeyZIUHDJCVJAXQQC-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.31
Rot. Bonds6

About 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (PubChem CID 122275679) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
PubChem CID122275679
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H22N4OS/c21-16(7-6-13-4-2-1-3-5-13)17-10-14-11-20(19-18-14)15-8-9-22-12-15/h8-9,11-13H,1-7,10H2,(H,17,21)
InChIKeyZIUHDJCVJAXQQC-UHFFFAOYSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (CID 122275679) is 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is O=C(CCC1CCCCC1)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The InChIKey is ZIUHDJCVJAXQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-16(7-6-13-4-2-1-3-5-13)17-10-14-11-20(19-18-14)15-8-9-22-12-15/h8-9,11-13H,1-7,10H2,(H,17,21).
What are the key properties of 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide has a molecular weight of 318.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 122275679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).