2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole

C10H11NS — CID 123818995

IUPAC2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole
SMILESCc1nc2c(s1)=CCCC=CC=2
InChIInChI=1S/C10H11NS/c1-8-11-9-6-4-2-3-5-7-10(9)12-8/h2,4,6-7H,3,5H2,1H3
InChIKeyGNQOYGNRWQMTDG-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.36
Rot. Bonds

About 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole

2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole (PubChem CID 123818995) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole
PubChem CID123818995
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole
SMILESCc1nc2c(s1)=CCCC=CC=2
InChIInChI=1S/C10H11NS/c1-8-11-9-6-4-2-3-5-7-10(9)12-8/h2,4,6-7H,3,5H2,1H3
InChIKeyGNQOYGNRWQMTDG-UHFFFAOYSA-N
XLogP1.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-5-ethylidene-4-[(E)-3-fluoro-2-methylprop-2-enylidene]-2-methyl-1,3-thiazole
CID 169883021
2-Methyl-5,6-dihydro-1,3-benzothiazole
CID 20096831
(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
CID 88944830
(5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-methylidene-1,3-thiazole
CID 89272485
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
CID 89277021
2-Methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
CID 123191476
2-methyl-6H-cycloocta[d][1,3]thiazole
CID 123408513
(4E,5E)-2-methyl-4,5-di(propylidene)-1,3-thiazole
CID 126659416
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-thiazole
CID 129147821
(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1,3-thiazole
CID 129213350
(3aE,6Z,9E)-2,5,8-trimethyl-5,8-dihydrocycloocta[d][1,3]thiazole
CID 129222106
4-Methyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,9,11,13-heptaene
CID 134194928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole?
The IUPAC name of 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole (CID 123818995) is 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole.
What is the SMILES notation for 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole?
The canonical SMILES for 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole is Cc1nc2c(s1)=CCCC=CC=2.
What is the InChIKey of 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole?
The InChIKey is GNQOYGNRWQMTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-8-11-9-6-4-2-3-5-7-10(9)12-8/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole?
2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole has a molecular weight of 177.27 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8-dihydrocycloocta[d][1,3]thiazole is sourced from PubChem (CID 123818995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).