1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea

C10H6BrCl2N3OS — CID 107653631

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ncc(Br)s1
InChIInChI=1S/C10H6BrCl2N3OS/c11-8-4-14-10(18-8)16-9(17)15-7-2-5(12)1-6(13)3-7/h1-4H,(H2,14,15,16,17)
InChIKeyAWSKWTHVOVAAQQ-UHFFFAOYSA-N
MW367.06 g/mol
LogP4.86
Rot. Bonds2

About 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea

1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107653631) has the molecular formula C10H6BrCl2N3OS and a molecular weight of 367.06 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea
PubChem CID107653631
Molecular FormulaC10H6BrCl2N3OS
Molecular Weight367.06 g/mol
Exact Mass364.88
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ncc(Br)s1
InChIInChI=1S/C10H6BrCl2N3OS/c11-8-4-14-10(18-8)16-9(17)15-7-2-5(12)1-6(13)3-7/h1-4H,(H2,14,15,16,17)
InChIKeyAWSKWTHVOVAAQQ-UHFFFAOYSA-N
XLogP4.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea (CID 107653631) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is AWSKWTHVOVAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3OS/c11-8-4-14-10(18-8)16-9(17)15-7-2-5(12)1-6(13)3-7/h1-4H,(H2,14,15,16,17).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 367.06 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107653631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).