5-bromo-2-(2-methylpropyl)-1,3-thiazole

C7H10BrNS — CID 20696774

IUPAC5-bromo-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(Br)s1
InChIInChI=1S/C7H10BrNS/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3
InChIKeyGMHHPYKEMBVLTD-UHFFFAOYSA-N
MW220.13 g/mol
LogP3.10
Rot. Bonds2

About 5-bromo-2-(2-methylpropyl)-1,3-thiazole

5-bromo-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 20696774) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropyl)-1,3-thiazole
PubChem CID20696774
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name5-bromo-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(Br)s1
InChIInChI=1S/C7H10BrNS/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3
InChIKeyGMHHPYKEMBVLTD-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2-methylpropyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(2-methylpropyl)-1,3-thiazole (CID 20696774) is 5-bromo-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is GMHHPYKEMBVLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-2-(2-methylpropyl)-1,3-thiazole?
5-bromo-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 220.13 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 20696774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).