2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H14N2S — CID 20982838

IUPAC2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3ccccc3)sc21
InChIInChI=1S/C13H14N2S/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,14H2
InChIKeyTZODCUYMYAIGFR-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.15
Rot. Bonds1

About 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 20982838) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID20982838
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3ccccc3)sc21
InChIInChI=1S/C13H14N2S/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,14H2
InChIKeyTZODCUYMYAIGFR-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 20982838) is 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(-c3ccccc3)sc21.
What is the InChIKey of 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is TZODCUYMYAIGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,14H2.
What are the key properties of 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 230.34 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 20982838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).