methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate

C6H11N3S2 — CID 588342

IUPACmethyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate
SMILES[H]/N=C1\SCCN1/C(=N/C)SC
InChIInChI=1S/C6H11N3S2/c1-8-6(10-2)9-3-4-11-5(9)7/h7H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyQFZGJUNKFVTYNS-SFECMWDFSA-N
MW189.31 g/mol
LogP1.32
Rot. Bonds

About methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate

methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate (PubChem CID 588342) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate.

Molecular Properties

Compound Namemethyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate
PubChem CID588342
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Namemethyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate
SMILES[H]/N=C1\SCCN1/C(=N/C)SC
InChIInChI=1S/C6H11N3S2/c1-8-6(10-2)9-3-4-11-5(9)7/h7H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyQFZGJUNKFVTYNS-SFECMWDFSA-N
XLogP1.32
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1,3-thiazolidin-2-imine Hydroiodide
CID 2770507
3-Methyl-2-thiazolidinimine
CID 77318
N,3-dimethyl-1,3-thiazolidin-2-imine;hydroiodide
CID 90654236
2-Imino-3,5-dimethylthiazolidine
CID 5131681
Thiazolium, 4,5-dihydro-2-amino-3-methyl-, bromide
CID 205098
Thiazolium, 4-5-dihydro-2-amino-3-ethyl-, bromide
CID 216946
[2-(Dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl imidothiocarbamate
CID 3092233
3-Ethyl-1,3-thiazolidin-2-imine
CID 216947
N,3-dimethyl-1,3-thiazolidin-2-imine
CID 13914821
Hydron;3-methyl-1,3-thiazolidin-2-imine;iodide
CID 20379303
N,N-dimethyl-1-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]methanamine
CID 54185934
N,N-dimethyl-1-[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]methanamine
CID 88784166

Frequently Asked Questions

What is the IUPAC name of methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate?
The IUPAC name of methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate (CID 588342) is methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate.
What is the SMILES notation for methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate?
The canonical SMILES for methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate is [H]/N=C1\SCCN1/C(=N/C)SC.
What is the InChIKey of methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate?
The InChIKey is QFZGJUNKFVTYNS-SFECMWDFSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-8-6(10-2)9-3-4-11-5(9)7/h7H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate?
methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate has a molecular weight of 189.31 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imino-N-methyl-1,3-thiazolidine-3-carboximidothioate is sourced from PubChem (CID 588342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).