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

C19H15ClF3N3OS — CID 2814437

IUPAC1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(-c2nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)sc2C)cc1Cl
InChIInChI=1S/C19H15ClF3N3OS/c1-10-3-4-12(9-15(10)20)16-11(2)28-18(25-16)26-17(27)24-14-7-5-13(6-8-14)19(21,22)23/h3-9H,1-2H3,(H2,24,25,26,27)
InChIKeyNCZRAZRRIRYYDU-UHFFFAOYSA-N
MW425.86 g/mol
LogP6.74
Rot. Bonds3

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

1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 2814437) has the molecular formula C19H15ClF3N3OS and a molecular weight of 425.86 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID2814437
Molecular FormulaC19H15ClF3N3OS
Molecular Weight425.86 g/mol
Exact Mass425.06
IUPAC Name1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(-c2nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)sc2C)cc1Cl
InChIInChI=1S/C19H15ClF3N3OS/c1-10-3-4-12(9-15(10)20)16-11(2)28-18(25-16)26-17(27)24-14-7-5-13(6-8-14)19(21,22)23/h3-9H,1-2H3,(H2,24,25,26,27)
InChIKeyNCZRAZRRIRYYDU-UHFFFAOYSA-N
XLogP6.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.86
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2446278
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 2814437) is 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is Cc1ccc(-c2nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)sc2C)cc1Cl.
What is the InChIKey of 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NCZRAZRRIRYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3OS/c1-10-3-4-12(9-15(10)20)16-11(2)28-18(25-16)26-17(27)24-14-7-5-13(6-8-14)19(21,22)23/h3-9H,1-2H3,(H2,24,25,26,27).
What are the key properties of 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 425.86 g/mol, XLogP of 6.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2814437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).