2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole

C10H15NS — CID 143108386

IUPAC2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole
SMILESCCC1NC2=C(CCCC=C2)S1
InChIInChI=1S/C10H15NS/c1-2-10-11-8-6-4-3-5-7-9(8)12-10/h4,6,10-11H,2-3,5,7H2,1H3
InChIKeyBDWYVVRYMVNCAR-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.01
Rot. Bonds1

About 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole

2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole (PubChem CID 143108386) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole
PubChem CID143108386
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole
SMILESCCC1NC2=C(CCCC=C2)S1
InChIInChI=1S/C10H15NS/c1-2-10-11-8-6-4-3-5-7-9(8)12-10/h4,6,10-11H,2-3,5,7H2,1H3
InChIKeyBDWYVVRYMVNCAR-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467
5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine
CID 66658462
3,3a,4,5-tetrahydro-2H-thieno[3,2-b]azepine
CID 68703920
2,5,6,7,8,9-Hexahydrothiopyrano[3,2-b]azepine
CID 70557524
2,3,4,5,6,7-Hexahydrothiopyrano[3,2-b]azepine
CID 70557525
2-Methyl-2,3,6,7-tetrahydro-1,3-benzothiazole
CID 121486631
2-Methyl-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 142249062
ethane;2-methyl-3,4,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole
CID 142256802
4a,10,11,11a-Tetrahydrocyclohepta[b][1,4]benzothiazine
CID 143013737
5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 143137406
3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane
CID 143438952
5-ethenyl-6-propyl-3,4-dihydro-2H-1,4-thiazine
CID 144051740

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole (CID 143108386) is 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole is CCC1NC2=C(CCCC=C2)S1.
What is the InChIKey of 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole?
The InChIKey is BDWYVVRYMVNCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-10-11-8-6-4-3-5-7-9(8)12-10/h4,6,10-11H,2-3,5,7H2,1H3.
What are the key properties of 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole?
2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 143108386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).