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

C8H9NS — CID 22342374

IUPAC5-methyl-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2c(c1)NCS2
InChIInChI=1S/C8H9NS/c1-6-2-3-8-7(4-6)9-5-10-8/h2-4,9H,5H2,1H3
InChIKeyYOCNSWXEHXJBSF-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.47
Rot. Bonds

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

5-methyl-2,3-dihydro-1,3-benzothiazole (PubChem CID 22342374) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,3-benzothiazole
PubChem CID22342374
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5-methyl-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2c(c1)NCS2
InChIInChI=1S/C8H9NS/c1-6-2-3-8-7(4-6)9-5-10-8/h2-4,9H,5H2,1H3
InChIKeyYOCNSWXEHXJBSF-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 5-methyl-2,3-dihydro-1,3-benzothiazole (CID 22342374) is 5-methyl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 5-methyl-2,3-dihydro-1,3-benzothiazole is Cc1ccc2c(c1)NCS2.
What is the InChIKey of 5-methyl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is YOCNSWXEHXJBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-2-3-8-7(4-6)9-5-10-8/h2-4,9H,5H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,3-benzothiazole?
5-methyl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 151.23 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 22342374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).