1-methyl-3-(thiophene-2-carbonylamino)thiourea

C7H9N3OS2 — CID 2819872

IUPAC1-methyl-3-(thiophene-2-carbonylamino)thiourea
SMILESCNC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C7H9N3OS2/c1-8-7(12)10-9-6(11)5-3-2-4-13-5/h2-4H,1H3,(H,9,11)(H2,8,10,12)
InChIKeySYXUJKFYUBHYNO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.49
Rot. Bonds1

About 1-methyl-3-(thiophene-2-carbonylamino)thiourea

1-methyl-3-(thiophene-2-carbonylamino)thiourea (PubChem CID 2819872) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-3-(thiophene-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-methyl-3-(thiophene-2-carbonylamino)thiourea
PubChem CID2819872
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name1-methyl-3-(thiophene-2-carbonylamino)thiourea
SMILESCNC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C7H9N3OS2/c1-8-7(12)10-9-6(11)5-3-2-4-13-5/h2-4H,1H3,(H,9,11)(H2,8,10,12)
InChIKeySYXUJKFYUBHYNO-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

N-cyclohexyl-2-(2-thienylcarbonyl)-1-hydrazinecarbothioamide
CID 727045
5-Ethyl-3-thiophenecarboxylic acid 2-[(cyclohexylamino)thioxomethyl]hydrazide
CID 843031
N-cyclohexyl-2-[(3-methyl-2-thienyl)carbonyl]hydrazinecarbothioamide
CID 1231792
Thiophene-2-carbohydrazide
CID 73098
N-cyclohexyl-2-[(5-methyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 1231795
1-(2-Methoxyethyl)-3-(thiophene-2-carbonylamino)thiourea
CID 1951745
N-propyl-2-(2-thienylcarbonyl)-1-hydrazinecarbothioamide
CID 4419281
1-Benzyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea
CID 843834
N-ethyl-2-[(5-isopropyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 1767171
N-allyl-2-[(4-ethyl-5-methyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 1767843
N-isobutyl-2-[(3-methyl-2-thienyl)carbonyl]hydrazinecarbothioamide
CID 4113855
N-butyl-2-[(5-ethyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 4129448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiophene-2-carbonylamino)thiourea?
The IUPAC name of 1-methyl-3-(thiophene-2-carbonylamino)thiourea (CID 2819872) is 1-methyl-3-(thiophene-2-carbonylamino)thiourea.
What is the SMILES notation for 1-methyl-3-(thiophene-2-carbonylamino)thiourea?
The canonical SMILES for 1-methyl-3-(thiophene-2-carbonylamino)thiourea is CNC(=S)NNC(=O)c1cccs1.
What is the InChIKey of 1-methyl-3-(thiophene-2-carbonylamino)thiourea?
The InChIKey is SYXUJKFYUBHYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-8-7(12)10-9-6(11)5-3-2-4-13-5/h2-4H,1H3,(H,9,11)(H2,8,10,12).
What are the key properties of 1-methyl-3-(thiophene-2-carbonylamino)thiourea?
1-methyl-3-(thiophene-2-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-2-carbonylamino)thiourea is sourced from PubChem (CID 2819872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).