2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C13H12N2OS — CID 64975749

IUPAC2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCc1cccnc1-c1nc2c(s1)CCCC2=O
InChIInChI=1S/C13H12N2OS/c1-8-4-3-7-14-11(8)13-15-12-9(16)5-2-6-10(12)17-13/h3-4,7H,2,5-6H2,1H3
InChIKeyNDFAXXGMPRZUPF-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.03
Rot. Bonds1

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

2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975749) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975749
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCc1cccnc1-c1nc2c(s1)CCCC2=O
InChIInChI=1S/C13H12N2OS/c1-8-4-3-7-14-11(8)13-15-12-9(16)5-2-6-10(12)17-13/h3-4,7H,2,5-6H2,1H3
InChIKeyNDFAXXGMPRZUPF-UHFFFAOYSA-N
XLogP3.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one 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-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975749) is 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is Cc1cccnc1-c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is NDFAXXGMPRZUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-8-4-3-7-14-11(8)13-15-12-9(16)5-2-6-10(12)17-13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 244.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).