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

C12H12BrClN2S — CID 55130707

IUPAC5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyIBLURWFVITZNQC-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.29
Rot. Bonds3

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

5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 55130707) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID55130707
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyIBLURWFVITZNQC-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.29
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
2-Amino-4-tert-butyl-5-(2-chlorobenzyl)thiazol-3-ium bromide
CID 139071894
5-(2-Chloro-6-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 28276612
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-3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637225
5-[(2-Bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637230

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 55130707) is 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1cc(Br)ccc1Cl.
What is the InChIKey of 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is IBLURWFVITZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16).
What are the key properties of 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 331.67 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55130707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).