6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C14H16N2S — CID 82294455

IUPAC6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCc1ccccc1C1CCc2nc(N)sc2C1
InChIInChI=1S/C14H16N2S/c1-9-4-2-3-5-11(9)10-6-7-12-13(8-10)17-14(15)16-12/h2-5,10H,6-8H2,1H3,(H2,15,16)
InChIKeyOCXRGUQQQWEXDI-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.31
Rot. Bonds1

About 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 82294455) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID82294455
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCc1ccccc1C1CCc2nc(N)sc2C1
InChIInChI=1S/C14H16N2S/c1-9-4-2-3-5-11(9)10-6-7-12-13(8-10)17-14(15)16-12/h2-5,10H,6-8H2,1H3,(H2,15,16)
InChIKeyOCXRGUQQQWEXDI-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 82294455) is 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Cc1ccccc1C1CCc2nc(N)sc2C1.
What is the InChIKey of 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is OCXRGUQQQWEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-9-4-2-3-5-11(9)10-6-7-12-13(8-10)17-14(15)16-12/h2-5,10H,6-8H2,1H3,(H2,15,16).
What are the key properties of 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82294455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).