3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea

C18H17Cl2N3OS — CID 2817613

IUPAC3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea
SMILESCC1(C)CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1
InChIInChI=1S/C18H17Cl2N3OS/c1-18(2)11-21-17(25-18)23(13-6-4-3-5-7-13)16(24)22-12-8-9-14(19)15(20)10-12/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyPRJLGDOZRZRPPQ-UHFFFAOYSA-N
MW394.33 g/mol
LogP5.91
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea

3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea (PubChem CID 2817613) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea
PubChem CID2817613
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC Name3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea
SMILESCC1(C)CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1
InChIInChI=1S/C18H17Cl2N3OS/c1-18(2)11-21-17(25-18)23(13-6-4-3-5-7-13)16(24)22-12-8-9-14(19)15(20)10-12/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyPRJLGDOZRZRPPQ-UHFFFAOYSA-N
XLogP5.91
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-2-(benzylimino)-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 917438
1-(3,4-Dichlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea
CID 738288
1-(3-Chlorophenyl)-3-(3-methylthiazolidin-2-ylidene)urea
CID 44408212
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
3-(4-Chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea
CID 2729366
N-(3,4-Dichlorophenyl)-2-((4-fluorophenyl)imino)-5-methylthiazolidine-3-carboxamide
CID 138319699
3-(3,4-Dichlorophenyl)-1-methyl-1-(5-methyl-2-thiazolin-2-yl)urea
CID 383612
3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-phenylurea
CID 383613
3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-(m-tolyl)urea
CID 383614
1-(3-chloro-4-fluorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-(4-methylphenyl)urea
CID 2802438
1-(3-Chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 2817945

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea (CID 2817613) is 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea is CC1(C)CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea?
The InChIKey is PRJLGDOZRZRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c1-18(2)11-21-17(25-18)23(13-6-4-3-5-7-13)16(24)22-12-8-9-14(19)15(20)10-12/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea?
3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea has a molecular weight of 394.33 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea is sourced from PubChem (CID 2817613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).