5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole

C13H12N2S — CID 3006733

IUPAC5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2c(c1)NC(c1cccnc1)S2
InChIInChI=1S/C13H12N2S/c1-9-4-5-12-11(7-9)15-13(16-12)10-3-2-6-14-8-10/h2-8,13,15H,1H3
InChIKeyBPEPKLYJRRMMQB-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.61
Rot. Bonds1

About 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole

5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole (PubChem CID 3006733) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole
PubChem CID3006733
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2c(c1)NC(c1cccnc1)S2
InChIInChI=1S/C13H12N2S/c1-9-4-5-12-11(7-9)15-13(16-12)10-3-2-6-14-8-10/h2-8,13,15H,1H3
InChIKeyBPEPKLYJRRMMQB-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 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole (CID 3006733) is 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole is Cc1ccc2c(c1)NC(c1cccnc1)S2.
What is the InChIKey of 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is BPEPKLYJRRMMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-4-5-12-11(7-9)15-13(16-12)10-3-2-6-14-8-10/h2-8,13,15H,1H3.
What are the key properties of 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole?
5-methyl-2-pyridin-3-yl-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 5-methyl-2-pyridin-3-yl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 3006733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).