1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone

C15H16N6OS — CID 30882124

IUPAC1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C15H16N6OS/c22-15(13-7-16-10-17-13)20-4-1-12(2-5-20)21-8-14(18-19-21)11-3-6-23-9-11/h3,6-10,12H,1-2,4-5H2,(H,16,17)
InChIKeyLEWJNKAJMYOTMW-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.21
Rot. Bonds3

About 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone

1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 30882124) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID30882124
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C15H16N6OS/c22-15(13-7-16-10-17-13)20-4-1-12(2-5-20)21-8-14(18-19-21)11-3-6-23-9-11/h3,6-10,12H,1-2,4-5H2,(H,16,17)
InChIKeyLEWJNKAJMYOTMW-UHFFFAOYSA-N
XLogP2.21
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (CID 30882124) is 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is O=C(c1cnc[nH]1)N1CCC(n2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is LEWJNKAJMYOTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-15(13-7-16-10-17-13)20-4-1-12(2-5-20)21-8-14(18-19-21)11-3-6-23-9-11/h3,6-10,12H,1-2,4-5H2,(H,16,17).
What are the key properties of 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 328.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 30882124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).