3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea

C24H20ClN5O3S — CID 1497964

IUPAC3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea
SMILESCOc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H20ClN5O3S/c1-33-20-13-7-16(8-14-20)21-15-34-24(28-21)30(23(32)27-19-11-9-17(25)10-12-19)29-22(31)26-18-5-3-2-4-6-18/h2-15H,1H3,(H,27,32)(H2,26,29,31)
InChIKeyZBLWOZVTCATMEU-UHFFFAOYSA-N
MW493.98 g/mol
LogP6.25
Rot. Bonds5

About 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea

3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea (PubChem CID 1497964) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea
PubChem CID1497964
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC Name3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea
SMILESCOc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H20ClN5O3S/c1-33-20-13-7-16(8-14-20)21-15-34-24(28-21)30(23(32)27-19-11-9-17(25)10-12-19)29-22(31)26-18-5-3-2-4-6-18/h2-15H,1H3,(H,27,32)(H2,26,29,31)
InChIKeyZBLWOZVTCATMEU-UHFFFAOYSA-N
XLogP6.25
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.98
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(cyclohexylcarbamoylamino)-3-phenylurea
CID 2718932
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea
CID 155816911
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate
CID 1497931
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433461
1-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 43820867
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea (CID 1497964) is 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea is COc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea?
The InChIKey is ZBLWOZVTCATMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c1-33-20-13-7-16(8-14-20)21-15-34-24(28-21)30(23(32)27-19-11-9-17(25)10-12-19)29-22(31)26-18-5-3-2-4-6-18/h2-15H,1H3,(H,27,32)(H2,26,29,31).
What are the key properties of 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea?
3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea has a molecular weight of 493.98 g/mol, XLogP of 6.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea is sourced from PubChem (CID 1497964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).