1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea

C18H15Cl2N3OS — CID 121123297

IUPAC1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3OS/c1-11-16(25-17(22-11)14-4-2-3-5-15(14)20)10-21-18(24)23-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24)
InChIKeyBBBOOOBXPDGBHI-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.75
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea

1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea (PubChem CID 121123297) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
PubChem CID121123297
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3OS/c1-11-16(25-17(22-11)14-4-2-3-5-15(14)20)10-21-18(24)23-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24)
InChIKeyBBBOOOBXPDGBHI-UHFFFAOYSA-N
XLogP5.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123341
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4-dimethoxyphenyl)urea
CID 121123334
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,5-dimethoxyphenyl)urea
CID 121123332
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547317
1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546926
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
1-(3-chloro-2-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547311
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea (CID 121123297) is 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The InChIKey is BBBOOOBXPDGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-11-16(25-17(22-11)14-4-2-3-5-15(14)20)10-21-18(24)23-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24).
What are the key properties of 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea has a molecular weight of 392.31 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea is sourced from PubChem (CID 121123297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).