1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea

C20H13Cl2N3OS — CID 2738352

IUPAC1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2N3OS/c21-13-7-10-16(15(22)11-13)25-20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)27-19/h1-11H,(H2,23,25,26)
InChIKeyGEYWRTZLDQTVHK-UHFFFAOYSA-N
MW414.32 g/mol
LogP6.91
Rot. Bonds3

About 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea

1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea (PubChem CID 2738352) has the molecular formula C20H13Cl2N3OS and a molecular weight of 414.32 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
PubChem CID2738352
Molecular FormulaC20H13Cl2N3OS
Molecular Weight414.32 g/mol
Exact Mass413.02
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2N3OS/c21-13-7-10-16(15(22)11-13)25-20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)27-19/h1-11H,(H2,23,25,26)
InChIKeyGEYWRTZLDQTVHK-UHFFFAOYSA-N
XLogP6.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chlorophenyl)urea
CID 46381124
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46381141
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 46381150
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 46381200
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 46381130
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 46381122
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chloro-4-fluorophenyl)thiourea
CID 21008643
1-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-(2,5-difluorophenyl)urea
CID 46381187
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 46381160
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46381159
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-iodobenzamide
CID 2277461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea (CID 2738352) is 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea?
The InChIKey is GEYWRTZLDQTVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3OS/c21-13-7-10-16(15(22)11-13)25-20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)27-19/h1-11H,(H2,23,25,26).
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea?
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea has a molecular weight of 414.32 g/mol, XLogP of 6.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 2738352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).