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

C18H15Cl2N3OS — CID 90546628

IUPAC1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-11-16(25-17(22-11)12-5-3-2-4-6-12)10-21-18(24)23-15-8-7-13(19)9-14(15)20/h2-9H,10H2,1H3,(H2,21,23,24)
InChIKeyHPQHOKGPYUGRQV-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.75
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 90546628) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID90546628
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-11-16(25-17(22-11)12-5-3-2-4-6-12)10-21-18(24)23-15-8-7-13(19)9-14(15)20/h2-9H,10H2,1H3,(H2,21,23,24)
InChIKeyHPQHOKGPYUGRQV-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-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546485
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546597
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363
1-(3-chloro-2-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547311
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
1-(4-butoxyphenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546629
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea (CID 90546628) is 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea is Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is HPQHOKGPYUGRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-11-16(25-17(22-11)12-5-3-2-4-6-12)10-21-18(24)23-15-8-7-13(19)9-14(15)20/h2-9H,10H2,1H3,(H2,21,23,24).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-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-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 90546628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).