5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine

C9H14N2S — CID 82407540

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine
SMILESNCC1CCCCc2cnsc21
InChIInChI=1S/C9H14N2S/c10-5-7-3-1-2-4-8-6-11-12-9(7)8/h6-7H,1-5,10H2
InChIKeyXEJUDQMHWZAWHG-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.91
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine (PubChem CID 82407540) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine
PubChem CID82407540
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine
SMILESNCC1CCCCc2cnsc21
InChIInChI=1S/C9H14N2S/c10-5-7-3-1-2-4-8-6-11-12-9(7)8/h6-7H,1-5,10H2
InChIKeyXEJUDQMHWZAWHG-UHFFFAOYSA-N
XLogP1.91
TPSA38.91 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine (CID 82407540) is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine is NCC1CCCCc2cnsc21.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine?
The InChIKey is XEJUDQMHWZAWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-5-7-3-1-2-4-8-6-11-12-9(7)8/h6-7H,1-5,10H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine?
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine has a molecular weight of 182.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine is sourced from PubChem (CID 82407540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).