3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole

C12H13Br2NS — CID 71295030

IUPAC3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(c2c(Br)cc(C)cc2Br)CS1
InChIInChI=1S/C12H13Br2NS/c1-7-4-10(13)12(11(14)5-7)15-6-16-9(3)8(15)2/h4-5H,6H2,1-3H3
InChIKeyQFBNJNUQSYJTCC-UHFFFAOYSA-N
MW363.12 g/mol
LogP5.28
Rot. Bonds1

About 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole

3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole (PubChem CID 71295030) has the molecular formula C12H13Br2NS and a molecular weight of 363.12 g/mol. Its IUPAC name is 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole
PubChem CID71295030
Molecular FormulaC12H13Br2NS
Molecular Weight363.12 g/mol
Exact Mass360.91
IUPAC Name3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(c2c(Br)cc(C)cc2Br)CS1
InChIInChI=1S/C12H13Br2NS/c1-7-4-10(13)12(11(14)5-7)15-6-16-9(3)8(15)2/h4-5H,6H2,1-3H3
InChIKeyQFBNJNUQSYJTCC-UHFFFAOYSA-N
XLogP5.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.12
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole?
The IUPAC name of 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole (CID 71295030) is 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole?
The canonical SMILES for 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole is CC1=C(C)N(c2c(Br)cc(C)cc2Br)CS1.
What is the InChIKey of 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole?
The InChIKey is QFBNJNUQSYJTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NS/c1-7-4-10(13)12(11(14)5-7)15-6-16-9(3)8(15)2/h4-5H,6H2,1-3H3.
What are the key properties of 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole?
3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole has a molecular weight of 363.12 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 71295030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).