1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea

C22H24N4OS — CID 20782294

IUPAC1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(c2nccs2)CC1
InChIInChI=1S/C22H24N4OS/c1-25(20-11-14-26(15-12-20)22-23-13-16-28-22)21(27)24-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,13,16,20H,11-12,14-15H2,1H3,(H,24,27)
InChIKeyKZUQFJBASZMDOR-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.94
Rot. Bonds4

About 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea

1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (PubChem CID 20782294) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
PubChem CID20782294
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(c2nccs2)CC1
InChIInChI=1S/C22H24N4OS/c1-25(20-11-14-26(15-12-20)22-23-13-16-28-22)21(27)24-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,13,16,20H,11-12,14-15H2,1H3,(H,24,27)
InChIKeyKZUQFJBASZMDOR-UHFFFAOYSA-N
XLogP4.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-cyclopropyl-2-[4-[methyl-[(4-phenylphenyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 20782512
1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782268
1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782228
3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 20782328
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
CID 161217615
1-[1-[2-(cyclopropylamino)prop-2-enyl]piperidin-4-yl]-1-methyl-3-(4-phenylphenyl)urea;propane
CID 142124695
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157
1-[1-(6-bromopyrimidin-4-yl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782213
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (CID 20782294) is 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is CN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(c2nccs2)CC1.
What is the InChIKey of 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The InChIKey is KZUQFJBASZMDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-25(20-11-14-26(15-12-20)22-23-13-16-28-22)21(27)24-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,13,16,20H,11-12,14-15H2,1H3,(H,24,27).
What are the key properties of 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea has a molecular weight of 392.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 20782294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).