2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole

C13H17NS — CID 90794537

IUPAC2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole
SMILESCC1=CC(C)C=c2sc(C)nc2=CCC1
InChIInChI=1S/C13H17NS/c1-9-5-4-6-12-13(8-10(2)7-9)15-11(3)14-12/h6-8,10H,4-5H2,1-3H3
InChIKeyYJKTZZJIBYLFNT-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.39
Rot. Bonds

About 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole

2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole (PubChem CID 90794537) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole.

Molecular Properties

Compound Name2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole
PubChem CID90794537
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole
SMILESCC1=CC(C)C=c2sc(C)nc2=CCC1
InChIInChI=1S/C13H17NS/c1-9-5-4-6-12-13(8-10(2)7-9)15-11(3)14-12/h6-8,10H,4-5H2,1-3H3
InChIKeyYJKTZZJIBYLFNT-UHFFFAOYSA-N
XLogP2.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
2,5-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 67596976
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-2-methyl-1,3-thiazole
CID 70894710
2,5,6-trimethyl-8H-indeno[1,2-d][1,3]thiazole;hydrobromide
CID 88219020
2,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 89217474
2-Propan-2-yl-5,6-dihydro-1,3-benzothiazole
CID 121464737
2-Methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
CID 123191476
2-Propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole
CID 123865813
(3aE,6Z,9E)-2,5,8-trimethyl-5,8-dihydrocycloocta[d][1,3]thiazole
CID 129222106
CID 141767278
CID 141767278
2,7-dimethyl-5H-cyclohepta[d][1,3]thiazole
CID 141971942

Frequently Asked Questions

What is the IUPAC name of 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole?
The IUPAC name of 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole (CID 90794537) is 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole.
What is the SMILES notation for 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole?
The canonical SMILES for 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole is CC1=CC(C)C=c2sc(C)nc2=CCC1.
What is the InChIKey of 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole?
The InChIKey is YJKTZZJIBYLFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9-5-4-6-12-13(8-10(2)7-9)15-11(3)14-12/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole?
2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole has a molecular weight of 219.35 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole is sourced from PubChem (CID 90794537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).