1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea

C24H21N3O3S — CID 90693218

IUPAC1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea
SMILESO=C(NCc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)Nc1ccccc1
InChIInChI=1S/C24H21N3O3S/c28-22-21(31-24(30)27-22)14-16-9-11-18(12-10-16)19-6-4-5-17(13-19)15-25-23(29)26-20-7-2-1-3-8-20/h1-13,28H,14-15H2,(H,27,30)(H2,25,26,29)
InChIKeyNISRMHQIUGVTOE-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.72
Rot. Bonds6

About 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea

1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea (PubChem CID 90693218) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea
PubChem CID90693218
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea
SMILESO=C(NCc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)Nc1ccccc1
InChIInChI=1S/C24H21N3O3S/c28-22-21(31-24(30)27-22)14-16-9-11-18(12-10-16)19-6-4-5-17(13-19)15-25-23(29)26-20-7-2-1-3-8-20/h1-13,28H,14-15H2,(H,27,30)(H2,25,26,29)
InChIKeyNISRMHQIUGVTOE-UHFFFAOYSA-N
XLogP4.72
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea 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

N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methyl-3-phenylpropanamide
CID 90843738
4-hydroxy-5-[[4-(2-phenylethyl)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934054
1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide
CID 91611980
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide
CID 90848030
1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea
CID 91417587
tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate
CID 91430904
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
10-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl-methylamino]-2-methyl-10-oxodecanoic acid
CID 91184546
1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea
CID 23987254
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
N-[[2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-5-phenylphenyl]methyl]-4-(4-hydroxyphenyl)-N-methylbenzamide
CID 91375360

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea (CID 90693218) is 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea is O=C(NCc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)Nc1ccccc1.
What is the InChIKey of 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea?
The InChIKey is NISRMHQIUGVTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c28-22-21(31-24(30)27-22)14-16-9-11-18(12-10-16)19-6-4-5-17(13-19)15-25-23(29)26-20-7-2-1-3-8-20/h1-13,28H,14-15H2,(H,27,30)(H2,25,26,29).
What are the key properties of 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea?
1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea has a molecular weight of 431.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea is sourced from PubChem (CID 90693218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).