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

C11H12N2S2 — CID 64975537

IUPAC2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(-c3ccsc3)nc21
InChIInChI=1S/C11H12N2S2/c12-8-2-1-3-9-10(8)13-11(15-9)7-4-5-14-6-7/h4-6,8H,1-3,12H2
InChIKeyDHDZTQKMFICUBM-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.21
Rot. Bonds1

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

2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975537) has the molecular formula C11H12N2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975537
Molecular FormulaC11H12N2S2
Molecular Weight236.36 g/mol
Exact Mass236.04
IUPAC Name2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(-c3ccsc3)nc21
InChIInChI=1S/C11H12N2S2/c12-8-2-1-3-9-10(8)13-11(15-9)7-4-5-14-6-7/h4-6,8H,1-3,12H2
InChIKeyDHDZTQKMFICUBM-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975537) is 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is NC1CCCc2sc(-c3ccsc3)nc21.
What is the InChIKey of 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is DHDZTQKMFICUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c12-8-2-1-3-9-10(8)13-11(15-9)7-4-5-14-6-7/h4-6,8H,1-3,12H2.
What are the key properties of 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).