6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole

C11H15NS — CID 123140139

IUPAC6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole
SMILESCCCC1=NC2CC=C(C)C=C2S1
InChIInChI=1S/C11H15NS/c1-3-4-11-12-9-6-5-8(2)7-10(9)13-11/h5,7,9H,3-4,6H2,1-2H3
InChIKeyYXDDODUVSJCECN-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.53
Rot. Bonds2

About 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole

6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole (PubChem CID 123140139) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole
PubChem CID123140139
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole
SMILESCCCC1=NC2CC=C(C)C=C2S1
InChIInChI=1S/C11H15NS/c1-3-4-11-12-9-6-5-8(2)7-10(9)13-11/h5,7,9H,3-4,6H2,1-2H3
InChIKeyYXDDODUVSJCECN-UHFFFAOYSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5-(trifluoromethyl)-3a,4-dihydro-1,3-benzothiazole
CID 149126078
2-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 18681653
2-Methyl-3a,4-dihydro-1,3-benzothiazole
CID 22064067
5-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 57790257
2-Propan-2-yl-3a,7a-dihydro-1,3-benzothiazole
CID 57865914
2-(2-Methylpropyl)-3a,7a-dihydro-1,3-benzothiazole
CID 58592540
2,5-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 60099158
2-Ethyl-3a,7a-dihydro-1,3-benzothiazole
CID 67561612
6-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 68074517
6,7a-dimethyl-3aH-1,3-benzothiazole
CID 89075789
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
CID 89319266
(3aR)-2-methyl-3a,4-dihydro-1,3-benzothiazole
CID 89367458

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole (CID 123140139) is 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole is CCCC1=NC2CC=C(C)C=C2S1.
What is the InChIKey of 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole?
The InChIKey is YXDDODUVSJCECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-4-11-12-9-6-5-8(2)7-10(9)13-11/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole?
6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole has a molecular weight of 193.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole is sourced from PubChem (CID 123140139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).