2-methyl-1-methylidene-1,2-thiazolidine

C5H11NS — CID 87152489

IUPAC2-methyl-1-methylidene-1,2-thiazolidine
SMILESC=S1CCCN1C
InChIInChI=1S/C5H11NS/c1-6-4-3-5-7(6)2/h2-5H2,1H3
InChIKeyISHHZZJNEUQRJO-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.94
Rot. Bonds

About 2-methyl-1-methylidene-1,2-thiazolidine

2-methyl-1-methylidene-1,2-thiazolidine (PubChem CID 87152489) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-methyl-1-methylidene-1,2-thiazolidine.

Molecular Properties

Compound Name2-methyl-1-methylidene-1,2-thiazolidine
PubChem CID87152489
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-methyl-1-methylidene-1,2-thiazolidine
SMILESC=S1CCCN1C
InChIInChI=1S/C5H11NS/c1-6-4-3-5-7(6)2/h2-5H2,1H3
InChIKeyISHHZZJNEUQRJO-UHFFFAOYSA-N
XLogP0.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.94
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-Ethyl-1,2-thiazolidine
CID 13493125
1-Methylidene-2-propan-2-yl-1,2-thiazolidine
CID 57529284
2,3-Dimethyl-1-methylidene-1,2-thiazolidine
CID 58782516
2-Methyl-1-methylidene-1,2-thiazolidine 1-oxide
CID 59425318
1-Propylsulfanylpyrrolidine
CID 85899412
2-Methyl-1-sulfanylidene-1,2-thiazolidine
CID 89442146
2-Propyl-1,2-thiazolidine
CID 90701045
1-Ethylsulfanylpyrrolidine
CID 126647352
2,4-Dimethyl-1,2-thiazolidine
CID 138705913
Ethane;1,1,2-trimethyl-1-methylidene-1,2-thiazolidine
CID 141784799
2-Butyl-1,2-thiazolidine
CID 141983299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylidene-1,2-thiazolidine?
The IUPAC name of 2-methyl-1-methylidene-1,2-thiazolidine (CID 87152489) is 2-methyl-1-methylidene-1,2-thiazolidine.
What is the SMILES notation for 2-methyl-1-methylidene-1,2-thiazolidine?
The canonical SMILES for 2-methyl-1-methylidene-1,2-thiazolidine is C=S1CCCN1C.
What is the InChIKey of 2-methyl-1-methylidene-1,2-thiazolidine?
The InChIKey is ISHHZZJNEUQRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-4-3-5-7(6)2/h2-5H2,1H3.
What are the key properties of 2-methyl-1-methylidene-1,2-thiazolidine?
2-methyl-1-methylidene-1,2-thiazolidine has a molecular weight of 117.22 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-1,2-thiazolidine is sourced from PubChem (CID 87152489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).