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

C18H16BrN3OS — CID 60545630

IUPAC1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(-c2nccs2)c1)c1ccccc1Br
InChIInChI=1S/C18H16BrN3OS/c1-12(15-7-2-3-8-16(15)19)21-18(23)22-14-6-4-5-13(11-14)17-20-9-10-24-17/h2-12H,1H3,(H2,21,22,23)
InChIKeyPUHCUFWCJRYPDY-UHFFFAOYSA-N
MW402.32 g/mol
LogP5.46
Rot. Bonds4

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

1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 60545630) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID60545630
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC Name1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(-c2nccs2)c1)c1ccccc1Br
InChIInChI=1S/C18H16BrN3OS/c1-12(15-7-2-3-8-16(15)19)21-18(23)22-14-6-4-5-13(11-14)17-20-9-10-24-17/h2-12H,1H3,(H2,21,22,23)
InChIKeyPUHCUFWCJRYPDY-UHFFFAOYSA-N
XLogP5.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 66462496
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 60545630) is 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea is CC(NC(=O)Nc1cccc(-c2nccs2)c1)c1ccccc1Br.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is PUHCUFWCJRYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-12(15-7-2-3-8-16(15)19)21-18(23)22-14-6-4-5-13(11-14)17-20-9-10-24-17/h2-12H,1H3,(H2,21,22,23).
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 402.32 g/mol, XLogP of 5.46, 4 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-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 60545630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).