N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide

C17H24N6OS — CID 119886852

IUPACN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1nc2c(s1)C(N(C)C(=O)c1cn(C3CCNCC3)nn1)CCC2
InChIInChI=1S/C17H24N6OS/c1-11-19-13-4-3-5-15(16(13)25-11)22(2)17(24)14-10-23(21-20-14)12-6-8-18-9-7-12/h10,12,15,18H,3-9H2,1-2H3
InChIKeyDQJBKRHPYUMTQY-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119886852) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119886852
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC NameN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1nc2c(s1)C(N(C)C(=O)c1cn(C3CCNCC3)nn1)CCC2
InChIInChI=1S/C17H24N6OS/c1-11-19-13-4-3-5-15(16(13)25-11)22(2)17(24)14-10-23(21-20-14)12-6-8-18-9-7-12/h10,12,15,18H,3-9H2,1-2H3
InChIKeyDQJBKRHPYUMTQY-UHFFFAOYSA-N
XLogP2.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide 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 N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119886852) is N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1nc2c(s1)C(N(C)C(=O)c1cn(C3CCNCC3)nn1)CCC2.
What is the InChIKey of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is DQJBKRHPYUMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-11-19-13-4-3-5-15(16(13)25-11)22(2)17(24)14-10-23(21-20-14)12-6-8-18-9-7-12/h10,12,15,18H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119886852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).