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

C13H14BrN3OS — CID 47194279

IUPAC1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC(C)c2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3OS/c1-8-7-19-13(15-8)17-12(18)16-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H2,15,16,17,18)
InChIKeyFTGQBGNMSGORDL-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.10
Rot. Bonds3

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

1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47194279) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47194279
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC(C)c2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3OS/c1-8-7-19-13(15-8)17-12(18)16-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H2,15,16,17,18)
InChIKeyFTGQBGNMSGORDL-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea
CID 119040647
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86989123
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902316
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
1-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 97319656
1-(2-methylsulfinyl-1-phenylethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 75424362

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47194279) is 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NC(C)c2ccccc2Br)n1.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is FTGQBGNMSGORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-8-7-19-13(15-8)17-12(18)16-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 340.25 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47194279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).