(2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone

C17H22N4OS — CID 56779825

IUPAC(2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)n(C2CCCN(C(=O)c3csc(C4CC4)n3)C2)n1
InChIInChI=1S/C17H22N4OS/c1-11-8-12(2)21(19-11)14-4-3-7-20(9-14)17(22)15-10-23-16(18-15)13-5-6-13/h8,10,13-14H,3-7,9H2,1-2H3
InChIKeyOCYAWEJKFRVFLG-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.31
Rot. Bonds3

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

(2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 56779825) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID56779825
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)n(C2CCCN(C(=O)c3csc(C4CC4)n3)C2)n1
InChIInChI=1S/C17H22N4OS/c1-11-8-12(2)21(19-11)14-4-3-7-20(9-14)17(22)15-10-23-16(18-15)13-5-6-13/h8,10,13-14H,3-7,9H2,1-2H3
InChIKeyOCYAWEJKFRVFLG-UHFFFAOYSA-N
XLogP3.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-(1,3-thiazol-2-yl)piperidine
CID 45197361
N-isopropyl-2-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 50962766
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
(2-Cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 53605639
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53620682
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 72044129
(2-Methyl-1,3-thiazol-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72044195
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone (CID 56779825) is (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cc(C)n(C2CCCN(C(=O)c3csc(C4CC4)n3)C2)n1.
What is the InChIKey of (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is OCYAWEJKFRVFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-8-12(2)21(19-11)14-4-3-7-20(9-14)17(22)15-10-23-16(18-15)13-5-6-13/h8,10,13-14H,3-7,9H2,1-2H3.
What are the key properties of (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone?
(2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 330.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56779825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).