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

C8H12N2S — CID 62079691

IUPACN-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2ncsc21
InChIInChI=1S/C8H12N2S/c1-9-6-3-2-4-7-8(6)11-5-10-7/h5-6,9H,2-4H2,1H3
InChIKeyQUJLGGKBPFPNRT-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.74
Rot. Bonds1

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

N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62079691) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62079691
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2ncsc21
InChIInChI=1S/C8H12N2S/c1-9-6-3-2-4-7-8(6)11-5-10-7/h5-6,9H,2-4H2,1H3
InChIKeyQUJLGGKBPFPNRT-UHFFFAOYSA-N
XLogP1.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62079691) is N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2ncsc21.
What is the InChIKey of N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is QUJLGGKBPFPNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-9-6-3-2-4-7-8(6)11-5-10-7/h5-6,9H,2-4H2,1H3.
What are the key properties of N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 168.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62079691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).