1-methyl-3-(thiophene-3-carbonylamino)thiourea

C7H9N3OS2 — CID 2820647

IUPAC1-methyl-3-(thiophene-3-carbonylamino)thiourea
SMILESCNC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C7H9N3OS2/c1-8-7(12)10-9-6(11)5-2-3-13-4-5/h2-4H,1H3,(H,9,11)(H2,8,10,12)
InChIKeyAAFGKNBQYKYUCA-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.49
Rot. Bonds1

About 1-methyl-3-(thiophene-3-carbonylamino)thiourea

1-methyl-3-(thiophene-3-carbonylamino)thiourea (PubChem CID 2820647) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-3-(thiophene-3-carbonylamino)thiourea.

Molecular Properties

Compound Name1-methyl-3-(thiophene-3-carbonylamino)thiourea
PubChem CID2820647
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name1-methyl-3-(thiophene-3-carbonylamino)thiourea
SMILESCNC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C7H9N3OS2/c1-8-7(12)10-9-6(11)5-2-3-13-4-5/h2-4H,1H3,(H,9,11)(H2,8,10,12)
InChIKeyAAFGKNBQYKYUCA-UHFFFAOYSA-N
XLogP0.49
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-3-carbohydrazide
CID 468648
thiophene-3-carboxylic acid N'-isopropyl-hydrazide
CID 59642162
1-(2-Methylpropyl)-3-(thiophene-3-carbonylamino)urea
CID 47428067
4-Ethyl-2-propyl-1-(3-thenoyl) semicarbazide
CID 54099638
(Thiophene-3-carbonylamino)urea
CID 64207645
N-methylthiophene-3-carbohydrazide
CID 90882148
N'-acetylthiophene-3-carbohydrazide
CID 123302382
N'-methylthiophene-3-carbohydrazide
CID 130443742
N',N'-dimethylthiophene-3-carbohydrazide
CID 130989643
N'-(3-methylbut-2-enoyl)thiophene-3-carbohydrazide
CID 140662677
1-Butyl-3-(thiophene-3-carbonylamino)thiourea
CID 4092470
(5-bromo(3-thienyl))-N-{[(methylamino)thioxomethyl]amino}carboxamide
CID 4500519

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiophene-3-carbonylamino)thiourea?
The IUPAC name of 1-methyl-3-(thiophene-3-carbonylamino)thiourea (CID 2820647) is 1-methyl-3-(thiophene-3-carbonylamino)thiourea.
What is the SMILES notation for 1-methyl-3-(thiophene-3-carbonylamino)thiourea?
The canonical SMILES for 1-methyl-3-(thiophene-3-carbonylamino)thiourea is CNC(=S)NNC(=O)c1ccsc1.
What is the InChIKey of 1-methyl-3-(thiophene-3-carbonylamino)thiourea?
The InChIKey is AAFGKNBQYKYUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-8-7(12)10-9-6(11)5-2-3-13-4-5/h2-4H,1H3,(H,9,11)(H2,8,10,12).
What are the key properties of 1-methyl-3-(thiophene-3-carbonylamino)thiourea?
1-methyl-3-(thiophene-3-carbonylamino)thiourea has a molecular weight of 215.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiophene-3-carbonylamino)thiourea is sourced from PubChem (CID 2820647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).