2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine

C10H9BrN2S — CID 107916044

IUPAC2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(-c2nc(N)cs2)cc1Br
InChIInChI=1S/C10H9BrN2S/c1-6-2-3-7(4-8(6)11)10-13-9(12)5-14-10/h2-5H,12H2,1H3
InChIKeyLBJZMTMWXFTGBE-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.46
Rot. Bonds1

About 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine

2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine (PubChem CID 107916044) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
PubChem CID107916044
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(-c2nc(N)cs2)cc1Br
InChIInChI=1S/C10H9BrN2S/c1-6-2-3-7(4-8(6)11)10-13-9(12)5-14-10/h2-5H,12H2,1H3
InChIKeyLBJZMTMWXFTGBE-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-amine
CID 116864241
2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine
CID 145049362
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-amine
CID 116864191
2-(3-methyl-4-pyridinyl)-1,3-thiazol-4-amine
CID 83108842
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
3-amino-5-(3-bromo-4-methylphenyl)thiophene-2-carbonitrile
CID 81488817
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine
CID 83107283
2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
CID 116864233
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine (CID 107916044) is 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine is Cc1ccc(-c2nc(N)cs2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine?
The InChIKey is LBJZMTMWXFTGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c1-6-2-3-7(4-8(6)11)10-13-9(12)5-14-10/h2-5H,12H2,1H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine?
2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine has a molecular weight of 269.17 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 107916044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).