2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride

C18H20ClN7S — CID 154896676

IUPAC2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
SMILESCc1nc2ccc(-n3ccnc3-c3cn(C4CCNCC4)nn3)cc2s1.Cl
InChIInChI=1S/C18H19N7S.ClH/c1-12-21-15-3-2-14(10-17(15)26-12)24-9-8-20-18(24)16-11-25(23-22-16)13-4-6-19-7-5-13;/h2-3,8-11,13,19H,4-7H2,1H3;1H
InChIKeyODGLMXWGETUSPZ-UHFFFAOYSA-N
MW401.93 g/mol
LogP3.40
Rot. Bonds3

About 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride

2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride (PubChem CID 154896676) has the molecular formula C18H20ClN7S and a molecular weight of 401.93 g/mol. Its IUPAC name is 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
PubChem CID154896676
Molecular FormulaC18H20ClN7S
Molecular Weight401.93 g/mol
Exact Mass401.12
IUPAC Name2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
SMILESCc1nc2ccc(-n3ccnc3-c3cn(C4CCNCC4)nn3)cc2s1.Cl
InChIInChI=1S/C18H19N7S.ClH/c1-12-21-15-3-2-14(10-17(15)26-12)24-9-8-20-18(24)16-11-25(23-22-16)13-4-6-19-7-5-13;/h2-3,8-11,13,19H,4-7H2,1H3;1H
InChIKeyODGLMXWGETUSPZ-UHFFFAOYSA-N
XLogP3.40
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride with MolForge

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Related Compounds

4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride
CID 154896103
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70707181
5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
CID 154898642
(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 154898704
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
CID 154896627
5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
CID 70748771
4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70780562
2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide
CID 50957135
4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119754268
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
4-[4-[1-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 97143465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride (CID 154896676) is 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride is Cc1nc2ccc(-n3ccnc3-c3cn(C4CCNCC4)nn3)cc2s1.Cl.
What is the InChIKey of 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride?
The InChIKey is ODGLMXWGETUSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S.ClH/c1-12-21-15-3-2-14(10-17(15)26-12)24-9-8-20-18(24)16-11-25(23-22-16)13-4-6-19-7-5-13;/h2-3,8-11,13,19H,4-7H2,1H3;1H.
What are the key properties of 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride?
2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride has a molecular weight of 401.93 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 154896676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).