methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate

C8H11N3O2S — CID 123471280

IUPACmethyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate
SMILESC/N=C(/NC(=O)c1ocnc1C)SC
InChIInChI=1S/C8H11N3O2S/c1-5-6(13-4-10-5)7(12)11-8(9-2)14-3/h4H,1-3H3,(H,9,11,12)
InChIKeyKVUZNVUUAARFSN-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.06
Rot. Bonds1

About methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate

methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate (PubChem CID 123471280) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate
PubChem CID123471280
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Namemethyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate
SMILESC/N=C(/NC(=O)c1ocnc1C)SC
InChIInChI=1S/C8H11N3O2S/c1-5-6(13-4-10-5)7(12)11-8(9-2)14-3/h4H,1-3H3,(H,9,11,12)
InChIKeyKVUZNVUUAARFSN-UHFFFAOYSA-N
XLogP1.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate?
The IUPAC name of methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate (CID 123471280) is methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate.
What is the SMILES notation for methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate?
The canonical SMILES for methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate is C/N=C(/NC(=O)c1ocnc1C)SC.
What is the InChIKey of methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate?
The InChIKey is KVUZNVUUAARFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-6(13-4-10-5)7(12)11-8(9-2)14-3/h4H,1-3H3,(H,9,11,12).
What are the key properties of methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate?
methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate has a molecular weight of 213.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate is sourced from PubChem (CID 123471280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).