(2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C22H26N4OS — CID 71781078

IUPAC(2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H26N4OS/c1-16(2)20-23-10-13-26(20)14-17-8-11-25(12-9-17)22(27)19-15-28-21(24-19)18-6-4-3-5-7-18/h3-7,10,13,15-17H,8-9,11-12,14H2,1-2H3
InChIKeyDOJVOVUTUKADBQ-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.68
Rot. Bonds5

About (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 71781078) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID71781078
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H26N4OS/c1-16(2)20-23-10-13-26(20)14-17-8-11-25(12-9-17)22(27)19-15-28-21(24-19)18-6-4-3-5-7-18/h3-7,10,13,15-17H,8-9,11-12,14H2,1-2H3
InChIKeyDOJVOVUTUKADBQ-UHFFFAOYSA-N
XLogP4.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 71781078) is (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CC(C)c1nccn1CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is DOJVOVUTUKADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-16(2)20-23-10-13-26(20)14-17-8-11-25(12-9-17)22(27)19-15-28-21(24-19)18-6-4-3-5-7-18/h3-7,10,13,15-17H,8-9,11-12,14H2,1-2H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 71781078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).