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

C13H16N2S2 — CID 55032704

IUPACN-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ccsc3)sc21
InChIInChI=1S/C13H16N2S2/c1-2-14-10-4-3-5-11-12(10)17-13(15-11)9-6-7-16-8-9/h6-8,10,14H,2-5H2,1H3
InChIKeyCYWBYUPSYJAZEQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.86
Rot. Bonds3

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

N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 55032704) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID55032704
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ccsc3)sc21
InChIInChI=1S/C13H16N2S2/c1-2-14-10-4-3-5-11-12(10)17-13(15-11)9-6-7-16-8-9/h6-8,10,14H,2-5H2,1H3
InChIKeyCYWBYUPSYJAZEQ-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 55032704) is N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(-c3ccsc3)sc21.
What is the InChIKey of N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is CYWBYUPSYJAZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-2-14-10-4-3-5-11-12(10)17-13(15-11)9-6-7-16-8-9/h6-8,10,14H,2-5H2,1H3.
What are the key properties of N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 264.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 55032704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).