(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

C20H22N4OS — CID 55787641

IUPAC(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)cn1
InChIInChI=1S/C20H22N4OS/c1-23-13-17(12-21-23)19-22-18(14-26-19)20(25)24-9-7-16(8-10-24)11-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3
InChIKeyKOZANCBZRQMZTC-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.64
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 55787641) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
PubChem CID55787641
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)cn1
InChIInChI=1S/C20H22N4OS/c1-23-13-17(12-21-23)19-22-18(14-26-19)20(25)24-9-7-16(8-10-24)11-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3
InChIKeyKOZANCBZRQMZTC-UHFFFAOYSA-N
XLogP3.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 55790830
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55792143
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone
CID 120616229
[3-(aminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119486756
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119541911
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120616228
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone
CID 110855837
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 78903023
[4-[methyl(propan-2-yl)amino]piperidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858604

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (CID 55787641) is (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is Cn1cc(-c2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)cn1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is KOZANCBZRQMZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-23-13-17(12-21-23)19-22-18(14-26-19)20(25)24-9-7-16(8-10-24)11-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 55787641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).