[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride

C16H23ClN4OS — CID 146052138

IUPAC[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)n1.Cl
InChIInChI=1S/C16H22N4OS.ClH/c1-10-5-7-19(8-6-10)15(21)14-13(4)17-16(22-14)20-12(3)9-11(2)18-20;/h9-10H,5-8H2,1-4H3;1H
InChIKeyLJDIDGJYWZDENP-UHFFFAOYSA-N
MW354.91 g/mol
LogP3.55
Rot. Bonds2

About [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride

[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 146052138) has the molecular formula C16H23ClN4OS and a molecular weight of 354.91 g/mol. Its IUPAC name is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID146052138
Molecular FormulaC16H23ClN4OS
Molecular Weight354.91 g/mol
Exact Mass354.13
IUPAC Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)n1.Cl
InChIInChI=1S/C16H22N4OS.ClH/c1-10-5-7-19(8-6-10)15(21)14-13(4)17-16(22-14)20-12(3)9-11(2)18-20;/h9-10H,5-8H2,1-4H3;1H
InChIKeyLJDIDGJYWZDENP-UHFFFAOYSA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.91
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
1-[2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]azepane
CID 23611556
4-[2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]morpholine
CID 46263533
1-(Azepan-1-YL)-2-[2-(3,5-dimethyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]ethan-1-one
CID 46265279
N,1,5-trimethyl-N-({1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl}methyl)-1H-pyrazole-3-carboxamide
CID 172892186
1-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]-4-phenylpiperazine
CID 23611491
2-{4-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-YL}ethan-1-OL
CID 23611492
1-[2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]azepane
CID 23611530
2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole
CID 23611554
(4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(2,4-dimethylthiazol-5-yl)methanone
CID 45502407
1-[2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]-4-methylpiperidine
CID 46263526
1-[2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]piperidine
CID 46263527

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (CID 146052138) is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is Cc1cc(C)n(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)n1.Cl.
What is the InChIKey of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is LJDIDGJYWZDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.ClH/c1-10-5-7-19(8-6-10)15(21)14-13(4)17-16(22-14)20-12(3)9-11(2)18-20;/h9-10H,5-8H2,1-4H3;1H.
What are the key properties of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 354.91 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146052138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).