4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

C13H14BrNS — CID 116892221

IUPAC4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1nc(Br)cs1
InChIInChI=1S/C13H14BrNS/c1-8(2)10-5-4-9(3)11(6-10)13-15-12(14)7-16-13/h4-8H,1-3H3
InChIKeyMNTWBFRVRGTFIT-UHFFFAOYSA-N
MW296.23 g/mol
LogP5.00
Rot. Bonds2

About 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 116892221) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
PubChem CID116892221
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1nc(Br)cs1
InChIInChI=1S/C13H14BrNS/c1-8(2)10-5-4-9(3)11(6-10)13-15-12(14)7-16-13/h4-8H,1-3H3
InChIKeyMNTWBFRVRGTFIT-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.23
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116887657
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867576
4-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethylbenzaldehyde
CID 165456748
2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116867853
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
CID 142618257
2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-amine
CID 116864241

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (CID 116892221) is 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is Cc1ccc(C(C)C)cc1-c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is MNTWBFRVRGTFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-8(2)10-5-4-9(3)11(6-10)13-15-12(14)7-16-13/h4-8H,1-3H3.
What are the key properties of 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 296.23 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 116892221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).