1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea

C19H19ClFN3OS — CID 2802438

IUPAC1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(C2=NCC(C)(C)S2)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClFN3OS/c1-12-4-6-13(7-5-12)23-17(25)24(18-22-11-19(2,3)26-18)14-8-9-16(21)15(20)10-14/h4-10H,11H2,1-3H3,(H,23,25)
InChIKeyKWMLOSOJRDQFFC-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.71
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea

1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea (PubChem CID 2802438) has the molecular formula C19H19ClFN3OS and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea
PubChem CID2802438
Molecular FormulaC19H19ClFN3OS
Molecular Weight391.90 g/mol
Exact Mass391.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(C2=NCC(C)(C)S2)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClFN3OS/c1-12-4-6-13(7-5-12)23-17(25)24(18-22-11-19(2,3)26-18)14-8-9-16(21)15(20)10-14/h4-10H,11H2,1-3H3,(H,23,25)
InChIKeyKWMLOSOJRDQFFC-UHFFFAOYSA-N
XLogP5.71
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea with MolForge

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Related Compounds

(2E)-2-(benzylimino)-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 917438
1-Benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 562408
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-3-phenylurea
CID 657999
1-(3-Chlorophenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 2253996
1-Benzyl-1-(5,5-dimethyl-4,5-dihydro-thiazol-2-yl)-3-phenyl-urea
CID 912993
1-(3-Chloro-4-fluorophenyl)-3-(4-methylphenyl)urea
CID 2237250
N-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(2-fluorophenyl)-N'-phenylurea
CID 2817615
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea
CID 657857
N-(5,5-dimethyl(1,3-thiazolin-2-yl))-N-(3-chloro-4-fluorophenyl)(methylamino)c arboxamide
CID 2817610
1-(4-Butylphenyl)-3-(4-chlorophenyl)-1-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 4048789
N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CID 135620566

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea (CID 2802438) is 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N(C2=NCC(C)(C)S2)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea?
The InChIKey is KWMLOSOJRDQFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3OS/c1-12-4-6-13(7-5-12)23-17(25)24(18-22-11-19(2,3)26-18)14-8-9-16(21)15(20)10-14/h4-10H,11H2,1-3H3,(H,23,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea?
1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea has a molecular weight of 391.90 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 2802438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).