4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride

C19H20ClN7S — CID 154896103

IUPAC4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride
SMILESCl.c1cc(-c2cscn2)cc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H19N7S.ClH/c1-2-14(18-12-27-13-22-18)10-16(3-1)25-9-8-21-19(25)17-11-26(24-23-17)15-4-6-20-7-5-15;/h1-3,8-13,15,20H,4-7H2;1H
InChIKeyCUHMXPVXMMVJID-UHFFFAOYSA-N
MW413.94 g/mol
LogP3.60
Rot. Bonds4

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

4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride (PubChem CID 154896103) has the molecular formula C19H20ClN7S and a molecular weight of 413.94 g/mol. Its IUPAC name is 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride
PubChem CID154896103
Molecular FormulaC19H20ClN7S
Molecular Weight413.94 g/mol
Exact Mass413.12
IUPAC Name4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride
SMILESCl.c1cc(-c2cscn2)cc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H19N7S.ClH/c1-2-14(18-12-27-13-22-18)10-16(3-1)25-9-8-21-19(25)17-11-26(24-23-17)15-4-6-20-7-5-15;/h1-3,8-13,15,20H,4-7H2;1H
InChIKeyCUHMXPVXMMVJID-UHFFFAOYSA-N
XLogP3.60
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.94
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
CID 154898642
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CID 154896676
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70707181
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560
(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 154898704
4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
CID 155973122
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
CID 154896627
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
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70780562
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119694864

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride (CID 154896103) is 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride is Cl.c1cc(-c2cscn2)cc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c1.
What is the InChIKey of 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride?
The InChIKey is CUHMXPVXMMVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S.ClH/c1-2-14(18-12-27-13-22-18)10-16(3-1)25-9-8-21-19(25)17-11-26(24-23-17)15-4-6-20-7-5-15;/h1-3,8-13,15,20H,4-7H2;1H.
What are the key properties of 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride?
4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride has a molecular weight of 413.94 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 154896103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).