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

C18H15Cl2N3OS — CID 121080421

IUPAC1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C
InChIInChI=1S/C18H15Cl2N3OS/c1-10-3-5-13(7-11(10)2)21-17(24)23-18-22-16(9-25-18)14-8-12(19)4-6-15(14)20/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyMYHLQQWHEMLKEU-UHFFFAOYSA-N
MW392.31 g/mol
LogP6.38
Rot. Bonds3

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

1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea (PubChem CID 121080421) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
PubChem CID121080421
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C
InChIInChI=1S/C18H15Cl2N3OS/c1-10-3-5-13(7-11(10)2)21-17(24)23-18-22-16(9-25-18)14-8-12(19)4-6-15(14)20/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeyMYHLQQWHEMLKEU-UHFFFAOYSA-N
XLogP6.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4181945
1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080414
1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 3549072
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951199
[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174065
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea (CID 121080421) is 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C.
What is the InChIKey of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is MYHLQQWHEMLKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-10-3-5-13(7-11(10)2)21-17(24)23-18-22-16(9-25-18)14-8-12(19)4-6-15(14)20/h3-9H,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 392.31 g/mol, XLogP of 6.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 121080421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).