N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C12H14N2S2 — CID 62079681

IUPACN-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3cccs3)sc21
InChIInChI=1S/C12H14N2S2/c1-13-8-4-2-5-9-11(8)16-12(14-9)10-6-3-7-15-10/h3,6-8,13H,2,4-5H2,1H3
InChIKeyJOCGSBAYMRGDCA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.47
Rot. Bonds2

About N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62079681) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62079681
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC NameN-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3cccs3)sc21
InChIInChI=1S/C12H14N2S2/c1-13-8-4-2-5-9-11(8)16-12(14-9)10-6-3-7-15-10/h3,6-8,13H,2,4-5H2,1H3
InChIKeyJOCGSBAYMRGDCA-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62079681) is N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(-c3cccs3)sc21.
What is the InChIKey of N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is JOCGSBAYMRGDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-13-8-4-2-5-9-11(8)16-12(14-9)10-6-3-7-15-10/h3,6-8,13H,2,4-5H2,1H3.
What are the key properties of N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 250.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62079681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).