methyl N-methyl-1,3-thiazole-2-carboximidothioate

C6H8N2S2 — CID 18721450

IUPACmethyl N-methyl-1,3-thiazole-2-carboximidothioate
SMILESC/N=C(\SC)c1nccs1
InChIInChI=1S/C6H8N2S2/c1-7-5(9-2)6-8-3-4-10-6/h3-4H,1-2H3/b7-5-
InChIKeySWQWJKCXVWGEGA-ALCCZGGFSA-N
MW172.28 g/mol
LogP1.88
Rot. Bonds1

About methyl N-methyl-1,3-thiazole-2-carboximidothioate

methyl N-methyl-1,3-thiazole-2-carboximidothioate (PubChem CID 18721450) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is methyl N-methyl-1,3-thiazole-2-carboximidothioate.

Molecular Properties

Compound Namemethyl N-methyl-1,3-thiazole-2-carboximidothioate
PubChem CID18721450
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Namemethyl N-methyl-1,3-thiazole-2-carboximidothioate
SMILESC/N=C(\SC)c1nccs1
InChIInChI=1S/C6H8N2S2/c1-7-5(9-2)6-8-3-4-10-6/h3-4H,1-2H3/b7-5-
InChIKeySWQWJKCXVWGEGA-ALCCZGGFSA-N
XLogP1.88
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-1,3-thiazole-2-carboximidothioate?
The IUPAC name of methyl N-methyl-1,3-thiazole-2-carboximidothioate (CID 18721450) is methyl N-methyl-1,3-thiazole-2-carboximidothioate.
What is the SMILES notation for methyl N-methyl-1,3-thiazole-2-carboximidothioate?
The canonical SMILES for methyl N-methyl-1,3-thiazole-2-carboximidothioate is C/N=C(\SC)c1nccs1.
What is the InChIKey of methyl N-methyl-1,3-thiazole-2-carboximidothioate?
The InChIKey is SWQWJKCXVWGEGA-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-7-5(9-2)6-8-3-4-10-6/h3-4H,1-2H3/b7-5-.
What are the key properties of methyl N-methyl-1,3-thiazole-2-carboximidothioate?
methyl N-methyl-1,3-thiazole-2-carboximidothioate has a molecular weight of 172.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-1,3-thiazole-2-carboximidothioate is sourced from PubChem (CID 18721450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).