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

C21H24N4O2S — CID 75463650

IUPAC[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCC(n4cc(C)cn4)CC3)cs2)cc1
InChIInChI=1S/C21H24N4O2S/c1-3-27-18-6-4-16(5-7-18)20-23-19(14-28-20)21(26)24-10-8-17(9-11-24)25-13-15(2)12-22-25/h4-7,12-14,17H,3,8-11H2,1-2H3
InChIKeyMCJVPFULMRPRRH-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.19
Rot. Bonds5

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

[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 75463650) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID75463650
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCC(n4cc(C)cn4)CC3)cs2)cc1
InChIInChI=1S/C21H24N4O2S/c1-3-27-18-6-4-16(5-7-18)20-23-19(14-28-20)21(26)24-10-8-17(9-11-24)25-13-15(2)12-22-25/h4-7,12-14,17H,3,8-11H2,1-2H3
InChIKeyMCJVPFULMRPRRH-UHFFFAOYSA-N
XLogP4.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119661713
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 120659131
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394984
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55629311
[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55618001
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119646207
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 75463650) is [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is CCOc1ccc(-c2nc(C(=O)N3CCC(n4cc(C)cn4)CC3)cs2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is MCJVPFULMRPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-27-18-6-4-16(5-7-18)20-23-19(14-28-20)21(26)24-10-8-17(9-11-24)25-13-15(2)12-22-25/h4-7,12-14,17H,3,8-11H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 396.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 75463650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).