5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine

C13H16BrN3S — CID 120904904

IUPAC5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1ccccc1Br)N(C)Cc1cnc(N)s1
InChIInChI=1S/C13H16BrN3S/c1-9(11-5-3-4-6-12(11)14)17(2)8-10-7-16-13(15)18-10/h3-7,9H,8H2,1-2H3,(H2,15,16)
InChIKeyWTOWDOHMMCHZEE-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.68
Rot. Bonds4

About 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine

5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120904904) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120904904
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1ccccc1Br)N(C)Cc1cnc(N)s1
InChIInChI=1S/C13H16BrN3S/c1-9(11-5-3-4-6-12(11)14)17(2)8-10-7-16-13(15)18-10/h3-7,9H,8H2,1-2H3,(H2,15,16)
InChIKeyWTOWDOHMMCHZEE-UHFFFAOYSA-N
XLogP3.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898349
5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120902697
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120897590
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900573
5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903532
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
CID 79772599
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904382

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 120904904) is 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine is CC(c1ccccc1Br)N(C)Cc1cnc(N)s1.
What is the InChIKey of 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is WTOWDOHMMCHZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-9(11-5-3-4-6-12(11)14)17(2)8-10-7-16-13(15)18-10/h3-7,9H,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 326.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120904904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).