7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole

C10H9BrClNS — CID 130063611

IUPAC7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2cc(Cl)cc(Br)c2s1
InChIInChI=1S/C10H9BrClNS/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3
InChIKeyLWRFVHFTZUSKMW-UHFFFAOYSA-N
MW290.61 g/mol
LogP4.84
Rot. Bonds1

About 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole

7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole (PubChem CID 130063611) has the molecular formula C10H9BrClNS and a molecular weight of 290.61 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole
PubChem CID130063611
Molecular FormulaC10H9BrClNS
Molecular Weight290.61 g/mol
Exact Mass288.93
IUPAC Name7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2cc(Cl)cc(Br)c2s1
InChIInChI=1S/C10H9BrClNS/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3
InChIKeyLWRFVHFTZUSKMW-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole 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 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole (CID 130063611) is 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole is CC(C)c1nc2cc(Cl)cc(Br)c2s1.
What is the InChIKey of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
The InChIKey is LWRFVHFTZUSKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNS/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3.
What are the key properties of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole has a molecular weight of 290.61 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 130063611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).