4-methyl-3-propan-2-yl-1,2-benzothiazole

C11H13NS — CID 163259018

IUPAC4-methyl-3-propan-2-yl-1,2-benzothiazole
SMILESCc1cccc2snc(C(C)C)c12
InChIInChI=1S/C11H13NS/c1-7(2)11-10-8(3)5-4-6-9(10)13-12-11/h4-7H,1-3H3
InChIKeyJGGYFDCBKMRNQE-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.73
Rot. Bonds1

About 4-methyl-3-propan-2-yl-1,2-benzothiazole

4-methyl-3-propan-2-yl-1,2-benzothiazole (PubChem CID 163259018) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1,2-benzothiazole.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1,2-benzothiazole
PubChem CID163259018
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name4-methyl-3-propan-2-yl-1,2-benzothiazole
SMILESCc1cccc2snc(C(C)C)c12
InChIInChI=1S/C11H13NS/c1-7(2)11-10-8(3)5-4-6-9(10)13-12-11/h4-7H,1-3H3
InChIKeyJGGYFDCBKMRNQE-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1,2-benzothiazole-3-carboxylic acid
CID 119091223
1-(4-methyl-1-benzothiophen-3-yl)ethanamine
CID 117119248
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117184526
1-methyldibenzothiophene
CID 23839
5-methyl-1,2,3,4-tetra(propan-2-yl)naphthalene
CID 173282541
9-methyl-[1]benzothiolo[3,2-b]pyridine
CID 118243263
3-ethenyl-2,4-dimethyl-1-benzothiophene
CID 145447214
4-(bromomethyl)-1,3-benzothiazole;4-methyl-1,3-benzothiazole
CID 159796626
1-(8-methylnaphthalen-1-yl)ethanamine
CID 105441726
8-iodo-1-methyldibenzothiophene
CID 149218010
3-chloro-2,4-dimethyl-1-benzothiophene;ethane
CID 143520176
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1,2-benzothiazole?
The IUPAC name of 4-methyl-3-propan-2-yl-1,2-benzothiazole (CID 163259018) is 4-methyl-3-propan-2-yl-1,2-benzothiazole.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1,2-benzothiazole?
The canonical SMILES for 4-methyl-3-propan-2-yl-1,2-benzothiazole is Cc1cccc2snc(C(C)C)c12.
What is the InChIKey of 4-methyl-3-propan-2-yl-1,2-benzothiazole?
The InChIKey is JGGYFDCBKMRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-7(2)11-10-8(3)5-4-6-9(10)13-12-11/h4-7H,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-1,2-benzothiazole?
4-methyl-3-propan-2-yl-1,2-benzothiazole has a molecular weight of 191.30 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1,2-benzothiazole is sourced from PubChem (CID 163259018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).