2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole

C13H12N2S — CID 3006722

IUPAC2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole
SMILESCc1cccnc1C1Nc2ccccc2S1
InChIInChI=1S/C13H12N2S/c1-9-5-4-8-14-12(9)13-15-10-6-2-3-7-11(10)16-13/h2-8,13,15H,1H3
InChIKeyLISNOJDAOIKQHC-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.61
Rot. Bonds1

About 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole

2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 3006722) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole
PubChem CID3006722
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole
SMILESCc1cccnc1C1Nc2ccccc2S1
InChIInChI=1S/C13H12N2S/c1-9-5-4-8-14-12(9)13-15-10-6-2-3-7-11(10)16-13/h2-8,13,15H,1H3
InChIKeyLISNOJDAOIKQHC-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole (CID 3006722) is 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole is Cc1cccnc1C1Nc2ccccc2S1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is LISNOJDAOIKQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-5-4-8-14-12(9)13-15-10-6-2-3-7-11(10)16-13/h2-8,13,15H,1H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole?
2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 228.32 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 3006722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).