3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane

C10H15NS — CID 143438952

IUPAC3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane
SMILESC1=CC2=C(C=CC1)SCN2.CC
InChIInChI=1S/C8H9NS.C2H6/c1-2-4-7-8(5-3-1)10-6-9-7;1-2/h2-5,9H,1,6H2;1-2H3
InChIKeyKMQVDHIAJYKFSD-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.03
Rot. Bonds

About 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane

3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane (PubChem CID 143438952) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane.

Molecular Properties

Compound Name3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane
PubChem CID143438952
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane
SMILESC1=CC2=C(C=CC1)SCN2.CC
InChIInChI=1S/C8H9NS.C2H6/c1-2-4-7-8(5-3-1)10-6-9-7;1-2/h2-5,9H,1,6H2;1-2H3
InChIKeyKMQVDHIAJYKFSD-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane?
The IUPAC name of 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane (CID 143438952) is 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane.
What is the SMILES notation for 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane?
The canonical SMILES for 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane is C1=CC2=C(C=CC1)SCN2.CC.
What is the InChIKey of 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane?
The InChIKey is KMQVDHIAJYKFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS.C2H6/c1-2-4-7-8(5-3-1)10-6-9-7;1-2/h2-5,9H,1,6H2;1-2H3.
What are the key properties of 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane?
3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane has a molecular weight of 181.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-cyclohepta[d][1,3]thiazole;ethane is sourced from PubChem (CID 143438952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).