5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine

C9H14N2S — CID 820066

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine
SMILESNCc1nc2c(s1)CCCCC2
InChIInChI=1S/C9H14N2S/c10-6-9-11-7-4-2-1-3-5-8(7)12-9/h1-6,10H2
InChIKeyHOXOBYOSXFZYKJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.87
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine (PubChem CID 820066) 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][1,3]thiazol-2-ylmethanamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine
PubChem CID820066
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine
SMILESNCc1nc2c(s1)CCCCC2
InChIInChI=1S/C9H14N2S/c10-6-9-11-7-4-2-1-3-5-8(7)12-9/h1-6,10H2
InChIKeyHOXOBYOSXFZYKJ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 4-ethyl-2-methyl-5-propyl-
CID 587855
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine
CID 3249913
2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole
CID 9834551
2-{4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-yl}ethan-1-amine
CID 4361972
2-chloro-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole
CID 9942345
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-ylmethanamine dihydrochloride
CID 47000654
2-Methyl-5,6,7,8-tetrahydro-4h-cyclohepta[d]-1,3-thiazole
CID 21529491
2-methyl-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepine
CID 22620750
2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 99989040
(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-ylmethyl)amine hydrochloride
CID 71299254
(7-Fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 83853778

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine (CID 820066) is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine is NCc1nc2c(s1)CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine?
The InChIKey is HOXOBYOSXFZYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-6-9-11-7-4-2-1-3-5-8(7)12-9/h1-6,10H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine?
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine has a molecular weight of 182.29 g/mol, XLogP of 1.87, 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][1,3]thiazol-2-ylmethanamine is sourced from PubChem (CID 820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).