1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea

C14H9Cl2N3OS — CID 46193181

IUPAC1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
SMILESO=C(Nc1nc2c(Cl)cccc2s1)Nc1ccccc1Cl
InChIInChI=1S/C14H9Cl2N3OS/c15-8-4-1-2-6-10(8)17-13(20)19-14-18-12-9(16)5-3-7-11(12)21-14/h1-7H,(H2,17,18,19,20)
InChIKeyGIHYLXDQQHCUEU-UHFFFAOYSA-N
MW338.22 g/mol
LogP5.25
Rot. Bonds2

About 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea

1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea (PubChem CID 46193181) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
PubChem CID46193181
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC Name1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
SMILESO=C(Nc1nc2c(Cl)cccc2s1)Nc1ccccc1Cl
InChIInChI=1S/C14H9Cl2N3OS/c15-8-4-1-2-6-10(8)17-13(20)19-14-18-12-9(16)5-3-7-11(12)21-14/h1-7H,(H2,17,18,19,20)
InChIKeyGIHYLXDQQHCUEU-UHFFFAOYSA-N
XLogP5.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.22
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 121080985
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 953877
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2,2-diphenylacetamide
CID 22780813
1-(4-chloro-1,3-benzothiazol-2-yl)-3-phenylthiourea
CID 3690824
trans-(1S,2S)-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylate
CID 7100117
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea (CID 46193181) is 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea is O=C(Nc1nc2c(Cl)cccc2s1)Nc1ccccc1Cl.
What is the InChIKey of 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea?
The InChIKey is GIHYLXDQQHCUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-8-4-1-2-6-10(8)17-13(20)19-14-18-12-9(16)5-3-7-11(12)21-14/h1-7H,(H2,17,18,19,20).
What are the key properties of 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea?
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea has a molecular weight of 338.22 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 46193181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).