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

C28H23N3O3S — CID 91417587

IUPAC1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea
SMILESCN(C(=O)Nc1ccc2ccccc2c1)c1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
InChIInChI=1S/C28H23N3O3S/c1-31(27(33)29-23-14-13-19-5-2-3-6-21(19)16-23)24-8-4-7-22(17-24)20-11-9-18(10-12-20)15-25-26(32)30-28(34)35-25/h2-14,16-17,32H,15H2,1H3,(H,29,33)(H,30,34)
InChIKeyCGXKUAYNZOHLIC-UHFFFAOYSA-N
MW481.58 g/mol
LogP6.22
Rot. Bonds5

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

1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea (PubChem CID 91417587) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea
PubChem CID91417587
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC Name1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea
SMILESCN(C(=O)Nc1ccc2ccccc2c1)c1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
InChIInChI=1S/C28H23N3O3S/c1-31(27(33)29-23-14-13-19-5-2-3-6-21(19)16-23)24-8-4-7-22(17-24)20-11-9-18(10-12-20)15-25-26(32)30-28(34)35-25/h2-14,16-17,32H,15H2,1H3,(H,29,33)(H,30,34)
InChIKeyCGXKUAYNZOHLIC-UHFFFAOYSA-N
XLogP6.22
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea
CID 90693218
2-(4-butoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
CID 91612828
tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate
CID 91430904
N-[[2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-5-phenylphenyl]methyl]-4-(4-hydroxyphenyl)-N-methylbenzamide
CID 91375360
5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934015
(E)-3-[4-[3-[methyl-[(4-propylphenyl)carbamoyl]amino]phenyl]phenyl]prop-2-enoic acid
CID 11683079
3-[2-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-6-yl]-1-methyl-1-naphthalen-2-ylurea
CID 126142296
4-hydroxy-5-[[4-[3-[(E)-1-(4-phenylphenyl)ethylideneamino]oxypropoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91931263
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate
CID 90724383

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]-1-methyl-3-naphthalen-2-ylurea?
The IUPAC name of 1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea (CID 91417587) is 1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea is CN(C(=O)Nc1ccc2ccccc2c1)c1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1.
What is the InChIKey of 1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea?
The InChIKey is CGXKUAYNZOHLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c1-31(27(33)29-23-14-13-19-5-2-3-6-21(19)16-23)24-8-4-7-22(17-24)20-11-9-18(10-12-20)15-25-26(32)30-28(34)35-25/h2-14,16-17,32H,15H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea?
1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea has a molecular weight of 481.58 g/mol, XLogP of 6.22, 5 rotatable bonds, 3 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]-1-methyl-3-naphthalen-2-ylurea is sourced from PubChem (CID 91417587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).