2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C12H16N2OS — CID 62756549

IUPAC2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC1CCCN1c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C12H16N2OS/c1-8-4-3-7-14(8)12-13-9-5-2-6-10(15)11(9)16-12/h8H,2-7H2,1H3
InChIKeyHLRCYWPBSWOXFE-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.65
Rot. Bonds1

About 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 62756549) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID62756549
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC1CCCN1c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C12H16N2OS/c1-8-4-3-7-14(8)12-13-9-5-2-6-10(15)11(9)16-12/h8H,2-7H2,1H3
InChIKeyHLRCYWPBSWOXFE-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 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-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
CID 587850
2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
CID 616821
2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 617191
5,5-dimethyl-2-(piperidin-1-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 622000
N-(7-Oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 597793
2-(diethylamino)-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 2872481
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 118673394
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 118673395
1-[2-(3,3-Difluoropyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 118673399
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118674854
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118674901
1-[2-(3,3-Difluoropyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-1-one
CID 134578134

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 62756549) is 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is CC1CCCN1c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is HLRCYWPBSWOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-4-3-7-14(8)12-13-9-5-2-6-10(15)11(9)16-12/h8H,2-7H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 236.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 62756549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).