1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C13H12BrN3OS — CID 108906932

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)N/C=C/c2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrN3OS/c1-9-8-19-13(16-9)17-12(18)15-6-5-10-3-2-4-11(14)7-10/h2-8H,1H3,(H2,15,16,17,18)/b6-5+
InChIKeyCDQFLHHJWTVJHM-AATRIKPKSA-N
MW338.23 g/mol
LogP4.01
Rot. Bonds3

About 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 108906932) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID108906932
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)N/C=C/c2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrN3OS/c1-9-8-19-13(16-9)17-12(18)15-6-5-10-3-2-4-11(14)7-10/h2-8H,1H3,(H2,15,16,17,18)/b6-5+
InChIKeyCDQFLHHJWTVJHM-AATRIKPKSA-N
XLogP4.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
CID 108906986
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea
CID 108906906
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013
(E)-3-(3-bromophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7948149
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803
(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 26176564
2-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1371463
1-(4-methyl-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915056
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906804

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 108906932) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)N/C=C/c2cccc(Br)c2)n1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is CDQFLHHJWTVJHM-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c1-9-8-19-13(16-9)17-12(18)15-6-5-10-3-2-4-11(14)7-10/h2-8H,1H3,(H2,15,16,17,18)/b6-5+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 338.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108906932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).