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

C20H22N4OS — CID 70756261

IUPAC[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cs1
InChIInChI=1S/C20H22N4OS/c1-13-5-3-4-6-16(13)17-11-21-23-19(17)15-7-9-24(10-8-15)20(25)18-12-26-14(2)22-18/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,23)
InChIKeyLIDKITBXKJEJGL-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.17
Rot. Bonds3

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

[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 70756261) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID70756261
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cs1
InChIInChI=1S/C20H22N4OS/c1-13-5-3-4-6-16(13)17-11-21-23-19(17)15-7-9-24(10-8-15)20(25)18-12-26-14(2)22-18/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,23)
InChIKeyLIDKITBXKJEJGL-UHFFFAOYSA-N
XLogP4.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 70756261) is [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cs1.
What is the InChIKey of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is LIDKITBXKJEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13-5-3-4-6-16(13)17-11-21-23-19(17)15-7-9-24(10-8-15)20(25)18-12-26-14(2)22-18/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,23).
What are the key properties of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 366.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 70756261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).