N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride

C19H26ClN3OS — CID 119321373

IUPACN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCCNC3)s2)cc1.Cl
InChIInChI=1S/C19H25N3OS.ClH/c1-12-6-8-15(9-7-12)19-22-14(3)17(24-19)13(2)21-18(23)16-5-4-10-20-11-16;/h6-9,13,16,20H,4-5,10-11H2,1-3H3,(H,21,23);1H
InChIKeyNBLRJNSRWVCEJN-UHFFFAOYSA-N
MW379.96 g/mol
LogP4.03
Rot. Bonds4

About N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119321373) has the molecular formula C19H26ClN3OS and a molecular weight of 379.96 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119321373
Molecular FormulaC19H26ClN3OS
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCCNC3)s2)cc1.Cl
InChIInChI=1S/C19H25N3OS.ClH/c1-12-6-8-15(9-7-12)19-22-14(3)17(24-19)13(2)21-18(23)16-5-4-10-20-11-16;/h6-9,13,16,20H,4-5,10-11H2,1-3H3,(H,21,23);1H
InChIKeyNBLRJNSRWVCEJN-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119325847
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
CID 119779768
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
3-amino-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779757
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119779789
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119779753
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 124594864

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride (CID 119321373) is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCCNC3)s2)cc1.Cl.
What is the InChIKey of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NBLRJNSRWVCEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.ClH/c1-12-6-8-15(9-7-12)19-22-14(3)17(24-19)13(2)21-18(23)16-5-4-10-20-11-16;/h6-9,13,16,20H,4-5,10-11H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 379.96 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119321373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).