[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

C15H18N4O2S — CID 95797520

IUPAC[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC(C(=O)c3nccs3)CC2)cnn1C
InChIInChI=1S/C15H18N4O2S/c1-10-12(9-17-18(10)2)15(21)19-6-3-11(4-7-19)13(20)14-16-5-8-22-14/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyNCJGWWCVEISLAQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.92
Rot. Bonds3

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

[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 95797520) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID95797520
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC(C(=O)c3nccs3)CC2)cnn1C
InChIInChI=1S/C15H18N4O2S/c1-10-12(9-17-18(10)2)15(21)19-6-3-11(4-7-19)13(20)14-16-5-8-22-14/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyNCJGWWCVEISLAQ-UHFFFAOYSA-N
XLogP1.92
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797532
2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate
CID 56975200
lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 160674052
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
[4-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-4-yl]piperidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 138049108
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826

Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (CID 95797520) is [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is Cc1c(C(=O)N2CCC(C(=O)c3nccs3)CC2)cnn1C.
What is the InChIKey of [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is NCJGWWCVEISLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-12(9-17-18(10)2)15(21)19-6-3-11(4-7-19)13(20)14-16-5-8-22-14/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 318.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 95797520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).