5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine

C12H13BrN2S — CID 116864382

IUPAC5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)s2)c(C)c1C
InChIInChI=1S/C12H13BrN2S/c1-6-4-5-9(8(3)7(6)2)12-15-11(14)10(13)16-12/h4-5H,14H2,1-3H3
InChIKeyPRPDYBVMIJBXDC-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.08
Rot. Bonds1

About 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine

5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine (PubChem CID 116864382) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
PubChem CID116864382
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)s2)c(C)c1C
InChIInChI=1S/C12H13BrN2S/c1-6-4-5-9(8(3)7(6)2)12-15-11(14)10(13)16-12/h4-5H,14H2,1-3H3
InChIKeyPRPDYBVMIJBXDC-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287
5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864302
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 116887740
5-(chloromethyl)-4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole
CID 116885359
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885687
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine
CID 116864269
[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868210
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864381
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888112
N-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864476

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine (CID 116864382) is 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine is Cc1ccc(-c2nc(N)c(Br)s2)c(C)c1C.
What is the InChIKey of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?
The InChIKey is PRPDYBVMIJBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-6-4-5-9(8(3)7(6)2)12-15-11(14)10(13)16-12/h4-5H,14H2,1-3H3.
What are the key properties of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?
5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine has a molecular weight of 297.22 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116864382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).