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

C20H20ClN3OS — CID 90547317

IUPAC1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2sc(-c3ccccc3C)nc2C)cc1Cl
InChIInChI=1S/C20H20ClN3OS/c1-12-6-4-5-7-16(12)19-23-14(3)18(26-19)11-22-20(25)24-15-9-8-13(2)17(21)10-15/h4-10H,11H2,1-3H3,(H2,22,24,25)
InChIKeyHEDPOLRYRWMMST-UHFFFAOYSA-N
MW385.92 g/mol
LogP5.71
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea (PubChem CID 90547317) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
PubChem CID90547317
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2sc(-c3ccccc3C)nc2C)cc1Cl
InChIInChI=1S/C20H20ClN3OS/c1-12-6-4-5-7-16(12)19-23-14(3)18(26-19)11-22-20(25)24-15-9-8-13(2)17(21)10-15/h4-10H,11H2,1-3H3,(H2,22,24,25)
InChIKeyHEDPOLRYRWMMST-UHFFFAOYSA-N
XLogP5.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 55.71
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-(3-fluorophenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547279
1-(3,4-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547310
1-(3-methoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547272
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
1-(3-chloro-2-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547311
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,5-dimethoxyphenyl)urea
CID 121123332
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90547060
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
1-(2,3-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547309
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-nitrobenzamide
CID 90547168

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea (CID 90547317) is 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea is Cc1ccc(NC(=O)NCc2sc(-c3ccccc3C)nc2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea?
The InChIKey is HEDPOLRYRWMMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-12-6-4-5-7-16(12)19-23-14(3)18(26-19)11-22-20(25)24-15-9-8-13(2)17(21)10-15/h4-10H,11H2,1-3H3,(H2,22,24,25).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea?
1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea has a molecular weight of 385.92 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea is sourced from PubChem (CID 90547317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).