1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

C16H12BrN3OS — CID 17217807

IUPAC1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)cs1)Nc1ccccc1Br
InChIInChI=1S/C16H12BrN3OS/c17-12-8-4-5-9-13(12)18-15(21)20-16-19-14(10-22-16)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20,21)
InChIKeyNOJJKHKRKIILRE-UHFFFAOYSA-N
MW374.26 g/mol
LogP5.22
Rot. Bonds3

About 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 17217807) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID17217807
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)cs1)Nc1ccccc1Br
InChIInChI=1S/C16H12BrN3OS/c17-12-8-4-5-9-13(12)18-15(21)20-16-19-14(10-22-16)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20,21)
InChIKeyNOJJKHKRKIILRE-UHFFFAOYSA-N
XLogP5.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.26
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea
CID 17217819
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
1-benzhydryl-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]urea
CID 121082218
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160
1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 46192880
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 17217807) is 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1nc(-c2ccccc2)cs1)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is NOJJKHKRKIILRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-12-8-4-5-9-13(12)18-15(21)20-16-19-14(10-22-16)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20,21).
What are the key properties of 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 374.26 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 17217807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).