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

C21H24N4OS — CID 70749568

IUPAC(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C21H24N4OS/c1-3-18-20(27-14(2)23-18)21(26)25-11-7-10-16(13-25)19-17(12-22-24-19)15-8-5-4-6-9-15/h4-6,8-9,12,16H,3,7,10-11,13H2,1-2H3,(H,22,24)
InChIKeyZFYOJJLQKRBDMF-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.42
Rot. Bonds4

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

(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70749568) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID70749568
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C21H24N4OS/c1-3-18-20(27-14(2)23-18)21(26)25-11-7-10-16(13-25)19-17(12-22-24-19)15-8-5-4-6-9-15/h4-6,8-9,12,16H,3,7,10-11,13H2,1-2H3,(H,22,24)
InChIKeyZFYOJJLQKRBDMF-UHFFFAOYSA-N
XLogP4.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 70749568) is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1nc(C)sc1C(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1.
What is the InChIKey of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZFYOJJLQKRBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-3-18-20(27-14(2)23-18)21(26)25-11-7-10-16(13-25)19-17(12-22-24-19)15-8-5-4-6-9-15/h4-6,8-9,12,16H,3,7,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 380.52 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70749568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).