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

C16H21ClN4OS — CID 46263526

IUPAC[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H21ClN4OS/c1-9-5-7-20(8-6-9)15(22)14-11(3)18-16(23-14)21-12(4)13(17)10(2)19-21/h9H,5-8H2,1-4H3
InChIKeyKRZXFMJZIGQWLM-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.78
Rot. Bonds2

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

[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 46263526) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID46263526
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H21ClN4OS/c1-9-5-7-20(8-6-9)15(22)14-11(3)18-16(23-14)21-12(4)13(17)10(2)19-21/h9H,5-8H2,1-4H3
InChIKeyKRZXFMJZIGQWLM-UHFFFAOYSA-N
XLogP3.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 46263526) is [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone is Cc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)N1CCC(C)CC1.
What is the InChIKey of [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KRZXFMJZIGQWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4OS/c1-9-5-7-20(8-6-9)15(22)14-11(3)18-16(23-14)21-12(4)13(17)10(2)19-21/h9H,5-8H2,1-4H3.
What are the key properties of [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 352.89 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46263526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).