(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H17N5OS — CID 43582548

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H17N5OS/c1-9-11(10(2)16-15-9)12(19)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8H,4-7H2,1-2H3,(H,15,16)
InChIKeyJWOWFFPQQCBYFL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.45
Rot. Bonds2

About (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 43582548) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID43582548
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H17N5OS/c1-9-11(10(2)16-15-9)12(19)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8H,4-7H2,1-2H3,(H,15,16)
InChIKeyJWOWFFPQQCBYFL-UHFFFAOYSA-N
XLogP1.45
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-methyl-1H-indol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30779142
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CID 103748970
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
1-[4-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003136
[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134044933
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 18138912
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62511266
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 43582548) is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1n[nH]c(C)c1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is JWOWFFPQQCBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-11(10(2)16-15-9)12(19)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8H,4-7H2,1-2H3,(H,15,16).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 291.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 43582548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).