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

C9H14N2S — CID 54444371

IUPACN,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C)sc21
InChIInChI=1S/C9H14N2S/c1-6-11-8-5-3-4-7(10-2)9(8)12-6/h7,10H,3-5H2,1-2H3
InChIKeyWQLOQZQVGNEGDS-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.05
Rot. Bonds1

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

N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 54444371) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID54444371
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C)sc21
InChIInChI=1S/C9H14N2S/c1-6-11-8-5-3-4-7(10-2)9(8)12-6/h7,10H,3-5H2,1-2H3
InChIKeyWQLOQZQVGNEGDS-UHFFFAOYSA-N
XLogP2.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 54444371) is N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(C)sc21.
What is the InChIKey of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is WQLOQZQVGNEGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6-11-8-5-3-4-7(10-2)9(8)12-6/h7,10H,3-5H2,1-2H3.
What are the key properties of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 182.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 54444371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).