5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C13H14BrClN2S — CID 103481123

IUPAC5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cccc(Cl)c1Br
InChIInChI=1S/C13H14BrClN2S/c1-7(2)12-10(18-13(16)17-12)6-8-4-3-5-9(15)11(8)14/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyIXFRROJBXPQGDS-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.86
Rot. Bonds3

About 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 103481123) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID103481123
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cccc(Cl)c1Br
InChIInChI=1S/C13H14BrClN2S/c1-7(2)12-10(18-13(16)17-12)6-8-4-3-5-9(15)11(8)14/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyIXFRROJBXPQGDS-UHFFFAOYSA-N
XLogP4.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-Chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 23793643
5-((3-Bromophenyl)methyl)-4-methyl-1,3-thiazol-2-amine
CID 43637217
5-[(2-Chlorophenyl)methyl]-4-cyclopropyl-2-thiazolamine
CID 47003342
2-Amino-4-tert-butyl-5-(4-chlorobenzyl)thiazole
CID 62065383
5-[(3-Chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-2-ylamine
CID 43637228
5-(4-Chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 167489822
5-(2-Chloro-4-fluorobenzyl)-4-methylthiazol-2-amine
CID 43637207
5-(4-Chloro-2-fluorobenzyl)-4-methylthiazol-2-amine
CID 43637213
5-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637215
5-[(2-Bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637230
5-[(3-Chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637232
5-[(5-Chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-2-ylamine
CID 43637236

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 103481123) is 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1cccc(Cl)c1Br.
What is the InChIKey of 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is IXFRROJBXPQGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-7(2)12-10(18-13(16)17-12)6-8-4-3-5-9(15)11(8)14/h3-5,7H,6H2,1-2H3,(H2,16,17).
What are the key properties of 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 345.69 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 103481123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).