2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole

C12H15NS — CID 134416802

IUPAC2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole
SMILESCc1nc2c(C)cc(C(C)C)cc2s1
InChIInChI=1S/C12H15NS/c1-7(2)10-5-8(3)12-11(6-10)14-9(4)13-12/h5-7H,1-4H3
InChIKeyBMJNHSPKGAAAHQ-UHFFFAOYSA-N
MW205.33 g/mol
LogP4.04
Rot. Bonds1

About 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole

2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole (PubChem CID 134416802) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole
PubChem CID134416802
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole
SMILESCc1nc2c(C)cc(C(C)C)cc2s1
InChIInChI=1S/C12H15NS/c1-7(2)10-5-8(3)12-11(6-10)14-9(4)13-12/h5-7H,1-4H3
InChIKeyBMJNHSPKGAAAHQ-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-6-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 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole (CID 134416802) is 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole is Cc1nc2c(C)cc(C(C)C)cc2s1.
What is the InChIKey of 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole?
The InChIKey is BMJNHSPKGAAAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-7(2)10-5-8(3)12-11(6-10)14-9(4)13-12/h5-7H,1-4H3.
What are the key properties of 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole?
2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole has a molecular weight of 205.33 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 134416802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).