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

C10H15NS — CID 130157212

IUPAC2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCCc1nc2c(s1)CCCCC2
InChIInChI=1S/C10H15NS/c1-2-10-11-8-6-4-3-5-7-9(8)12-10/h2-7H2,1H3
InChIKeyNCVCNRKGGLZJJB-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.97
Rot. Bonds1

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

2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (PubChem CID 130157212) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
PubChem CID130157212
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCCc1nc2c(s1)CCCCC2
InChIInChI=1S/C10H15NS/c1-2-10-11-8-6-4-3-5-7-9(8)12-10/h2-7H2,1H3
InChIKeyNCVCNRKGGLZJJB-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (CID 130157212) is 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is CCc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The InChIKey is NCVCNRKGGLZJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-10-11-8-6-4-3-5-7-9(8)12-10/h2-7H2,1H3.
What are the key properties of 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole has a molecular weight of 181.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 130157212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).