(5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine

C9H13NS — CID 143096915

IUPAC(5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine
SMILESC/C1=N/C(C)/C=C\C=C/CS1
InChIInChI=1S/C9H13NS/c1-8-6-4-3-5-7-11-9(2)10-8/h3-6,8H,7H2,1-2H3/b5-3-,6-4-,10-9-
InChIKeyYALGQFGJXINCFE-WQOYSYRISA-N
MW167.28 g/mol
LogP2.65
Rot. Bonds

About (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine

(5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine (PubChem CID 143096915) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine.

Molecular Properties

Compound Name(5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine
PubChem CID143096915
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine
SMILESC/C1=N/C(C)/C=C\C=C/CS1
InChIInChI=1S/C9H13NS/c1-8-6-4-3-5-7-11-9(2)10-8/h3-6,8H,7H2,1-2H3/b5-3-,6-4-,10-9-
InChIKeyYALGQFGJXINCFE-WQOYSYRISA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine with MolForge

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Related Compounds

CID 146162012
CID 146162012
2-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 18681653
2-Methyl-3a,4-dihydro-1,3-benzothiazole
CID 22064067
2-Propan-2-yl-3a,7a-dihydro-1,3-benzothiazole
CID 57865914
2-(2-Methylpropyl)-3a,7a-dihydro-1,3-benzothiazole
CID 58592540
2,5-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 60099158
2-Ethyl-3a,7a-dihydro-1,3-benzothiazole
CID 67561612
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
CID 89319266
(3aR)-2-methyl-3a,4-dihydro-1,3-benzothiazole
CID 89367458
2,7-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89495237
2,6-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834119
6-Ethyl-2-methyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834153

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine?
The IUPAC name of (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine (CID 143096915) is (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine.
What is the SMILES notation for (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine?
The canonical SMILES for (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine is C/C1=N/C(C)/C=C\C=C/CS1.
What is the InChIKey of (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine?
The InChIKey is YALGQFGJXINCFE-WQOYSYRISA-N. The full InChI is InChI=1S/C9H13NS/c1-8-6-4-3-5-7-11-9(2)10-8/h3-6,8H,7H2,1-2H3/b5-3-,6-4-,10-9-.
What are the key properties of (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine?
(5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine has a molecular weight of 167.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2,4-dimethyl-4,9-dihydro-1,3-thiazonine is sourced from PubChem (CID 143096915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).