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

C15H21N5OS — CID 60509226

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1csc(N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1
InChIInChI=1S/C15H21N5OS/c1-10(2)12-8-13(18-17-12)14(21)19-4-6-20(7-5-19)15-16-11(3)9-22-15/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyLGHHXRRWWYZOSH-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.26
Rot. Bonds3

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

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 60509226) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID60509226
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1csc(N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1
InChIInChI=1S/C15H21N5OS/c1-10(2)12-8-13(18-17-12)14(21)19-4-6-20(7-5-19)15-16-11(3)9-22-15/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyLGHHXRRWWYZOSH-UHFFFAOYSA-N
XLogP2.26
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
(4-chloro-1H-pyrrol-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 35165527
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110244899
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120642693
(3-fluorophenyl)-[4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 60506705
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734821
3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 166520449
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
(2S)-2-amino-3,3-dimethyl-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119851692
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110710921

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 60509226) is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1csc(N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is LGHHXRRWWYZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10(2)12-8-13(18-17-12)14(21)19-4-6-20(7-5-19)15-16-11(3)9-22-15/h8-10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 60509226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).