6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole

C8H11NS — CID 574164

IUPAC6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCC1CCc2ncsc2C1
InChIInChI=1S/C8H11NS/c1-6-2-3-7-8(4-6)10-5-9-7/h5-6H,2-4H2,1H3
InChIKeyOSAVKXRNTRCRJX-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.27
Rot. Bonds

About 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole

6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 574164) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID574164
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCC1CCc2ncsc2C1
InChIInChI=1S/C8H11NS/c1-6-2-3-7-8(4-6)10-5-9-7/h5-6H,2-4H2,1H3
InChIKeyOSAVKXRNTRCRJX-UHFFFAOYSA-N
XLogP2.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 574164) is 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole is CC1CCc2ncsc2C1.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is OSAVKXRNTRCRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-2-3-7-8(4-6)10-5-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 153.25 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 574164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).