2,3-dimethyl-1-methylidene-1,2-thiazolidine

C6H13NS — CID 58782516

IUPAC2,3-dimethyl-1-methylidene-1,2-thiazolidine
SMILESC=S1CCC(C)N1C
InChIInChI=1S/C6H13NS/c1-6-4-5-8(3)7(6)2/h6H,3-5H2,1-2H3
InChIKeyXCMDPSKAZYSEDS-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.33
Rot. Bonds

About 2,3-dimethyl-1-methylidene-1,2-thiazolidine

2,3-dimethyl-1-methylidene-1,2-thiazolidine (PubChem CID 58782516) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2,3-dimethyl-1-methylidene-1,2-thiazolidine.

Molecular Properties

Compound Name2,3-dimethyl-1-methylidene-1,2-thiazolidine
PubChem CID58782516
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2,3-dimethyl-1-methylidene-1,2-thiazolidine
SMILESC=S1CCC(C)N1C
InChIInChI=1S/C6H13NS/c1-6-4-5-8(3)7(6)2/h6H,3-5H2,1-2H3
InChIKeyXCMDPSKAZYSEDS-UHFFFAOYSA-N
XLogP1.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,2-thiazolidine
CID 13493124
2-Propan-2-yl-1,2-thiazolidine
CID 22897205
1-Methylidene-2-propan-2-yl-1,2-thiazolidine
CID 57529284
2-Methyl-1-methylidene-1,2-thiazolidine
CID 87152489
Ethane;2-methyl-1,2-thiazolidine
CID 142059859
ethane;(1Z)-1-ethylidene-2-methyl-1,2-thiazolidine
CID 144263548
2,3-Dimethyl-1,2-thiazolidine
CID 154515797
1-Methylidene-2-propan-2-yl-1,2-thiazolidine 1-oxide
CID 157159179
2,3,4-Trimethyl-1-methylidene-1,2-thiazolidine
CID 178645393
2-Methanidyl-1-methylidene-1,2-thiazolidine
CID 87414479
(1Z)-1-ethylidene-2-methyl-1,2-thiazolidine
CID 144263549
Ethyl-methylidene-pyrrolidin-1-yl-lambda4-sulfane
CID 154648202

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-methylidene-1,2-thiazolidine?
The IUPAC name of 2,3-dimethyl-1-methylidene-1,2-thiazolidine (CID 58782516) is 2,3-dimethyl-1-methylidene-1,2-thiazolidine.
What is the SMILES notation for 2,3-dimethyl-1-methylidene-1,2-thiazolidine?
The canonical SMILES for 2,3-dimethyl-1-methylidene-1,2-thiazolidine is C=S1CCC(C)N1C.
What is the InChIKey of 2,3-dimethyl-1-methylidene-1,2-thiazolidine?
The InChIKey is XCMDPSKAZYSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6-4-5-8(3)7(6)2/h6H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-methylidene-1,2-thiazolidine?
2,3-dimethyl-1-methylidene-1,2-thiazolidine has a molecular weight of 131.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-methylidene-1,2-thiazolidine is sourced from PubChem (CID 58782516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).