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

C16H22N4OS — CID 50745195

IUPAC[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)n1
InChIInChI=1S/C16H22N4OS/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
InChIKeyUSMXARQMDCGJML-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.13
Rot. Bonds2

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

[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 50745195) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID50745195
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)n1
InChIInChI=1S/C16H22N4OS/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
InChIKeyUSMXARQMDCGJML-UHFFFAOYSA-N
XLogP3.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146052138
1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 45035351
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
(4-methylpiperidin-1-yl)-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387059
2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 16835806
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72929883
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53031478
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
[2-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53100753
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 18156519
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036

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?
The IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 50745195) is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cc(C)n(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)n1.
What is the InChIKey of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is USMXARQMDCGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/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.
What are the key properties of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 318.45 g/mol, XLogP of 3.13, 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 is sourced from PubChem (CID 50745195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).