7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole

C13H16N2O2S2 — CID 154736461

IUPAC7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole
SMILESCc1cccc2nc(N3CCC(S(C)(=O)=O)C3)sc12
InChIInChI=1S/C13H16N2O2S2/c1-9-4-3-5-11-12(9)18-13(14-11)15-7-6-10(8-15)19(2,16)17/h3-5,10H,6-8H2,1-2H3
InChIKeySYVBJSQOSLJLQT-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.23
Rot. Bonds2

About 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole

7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole (PubChem CID 154736461) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole
PubChem CID154736461
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole
SMILESCc1cccc2nc(N3CCC(S(C)(=O)=O)C3)sc12
InChIInChI=1S/C13H16N2O2S2/c1-9-4-3-5-11-12(9)18-13(14-11)15-7-6-10(8-15)19(2,16)17/h3-5,10H,6-8H2,1-2H3
InChIKeySYVBJSQOSLJLQT-UHFFFAOYSA-N
XLogP2.23
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-(3-methylsulfonylpyrrolidin-1-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

Related Compounds

2-[ethyl-[1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]amino]acetic acid
CID 122062243
(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 124739600
4-methyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941444
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275756
2-[4-(2,3-dimethylphenyl)piperidin-1-yl]-1,3-benzothiazole
CID 174497985
2-[5-chloro-2-(3-methylsulfonylpyrrolidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971565
5,7-dimethyl-2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941446
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
(3aR,7aS)-5-(4-methyl-1,3-benzothiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 138018773
7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole
CID 167848377
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
CID 7110142
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole?
The IUPAC name of 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole (CID 154736461) is 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole is Cc1cccc2nc(N3CCC(S(C)(=O)=O)C3)sc12.
What is the InChIKey of 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole?
The InChIKey is SYVBJSQOSLJLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-4-3-5-11-12(9)18-13(14-11)15-7-6-10(8-15)19(2,16)17/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole?
7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole has a molecular weight of 296.42 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 154736461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).