[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H19N5OS — CID 43040249

IUPAC[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H19N5OS/c1-14-6-7-20-23(14)16-4-2-15(3-5-16)17(24)21-9-11-22(12-10-21)18-19-8-13-25-18/h2-8,13H,9-12H2,1H3
InChIKeyUWFKKIHBEKJQRC-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.60
Rot. Bonds3

About [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 43040249) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID43040249
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H19N5OS/c1-14-6-7-20-23(14)16-4-2-15(3-5-16)17(24)21-9-11-22(12-10-21)18-19-8-13-25-18/h2-8,13H,9-12H2,1H3
InChIKeyUWFKKIHBEKJQRC-UHFFFAOYSA-N
XLogP2.60
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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[4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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(2-methyl-1-benzofuran-5-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 43040249) is [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is UWFKKIHBEKJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-14-6-7-20-23(14)16-4-2-15(3-5-16)17(24)21-9-11-22(12-10-21)18-19-8-13-25-18/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 353.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 43040249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).