2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

C15H19N7S — CID 70776889

IUPAC2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccnc2-c2cn(C3CCNCC3)nn2)cs1
InChIInChI=1S/C15H19N7S/c1-11-18-12(10-23-11)8-21-7-6-17-15(21)14-9-22(20-19-14)13-2-4-16-5-3-13/h6-7,9-10,13,16H,2-5,8H2,1H3
InChIKeyQUMQIGNEVXRNNX-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70776889) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70776889
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Name2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccnc2-c2cn(C3CCNCC3)nn2)cs1
InChIInChI=1S/C15H19N7S/c1-11-18-12(10-23-11)8-21-7-6-17-15(21)14-9-22(20-19-14)13-2-4-16-5-3-13/h6-7,9-10,13,16H,2-5,8H2,1H3
InChIKeyQUMQIGNEVXRNNX-UHFFFAOYSA-N
XLogP1.88
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole 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 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (CID 70776889) is 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is Cc1nc(Cn2ccnc2-c2cn(C3CCNCC3)nn2)cs1.
What is the InChIKey of 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is QUMQIGNEVXRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-11-18-12(10-23-11)8-21-7-6-17-15(21)14-9-22(20-19-14)13-2-4-16-5-3-13/h6-7,9-10,13,16H,2-5,8H2,1H3.
What are the key properties of 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 329.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70776889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).