1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea

C10H15N3OS2 — CID 21157559

IUPAC1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea
SMILESCCc1cc(C(=O)NN(CC)C(N)=S)cs1
InChIInChI=1S/C10H15N3OS2/c1-3-8-5-7(6-16-8)9(14)12-13(4-2)10(11)15/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyYVIAARBLAQQBHJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.52
Rot. Bonds3

About 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea

1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea (PubChem CID 21157559) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea
PubChem CID21157559
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea
SMILESCCc1cc(C(=O)NN(CC)C(N)=S)cs1
InChIInChI=1S/C10H15N3OS2/c1-3-8-5-7(6-16-8)9(14)12-13(4-2)10(11)15/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyYVIAARBLAQQBHJ-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
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'}

Analyze 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-ethylthiophene-3-carbonyl)amino]-1-prop-2-enylthiourea
CID 22301201
1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
CID 22299507
1-(1-benzothiophene-3-carbonylamino)-1-ethylthiourea
CID 22301185
1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea
CID 22305790
1-ethyl-1-(pyridine-2-carbonylamino)thiourea
CID 22301171
1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
CID 22305911
1-(5-ethylthiophen-3-yl)butan-1-one
CID 158760441
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 25237547
1-(carbamothioylamino)-1-ethylthiourea
CID 174746533
5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 19617153
1-butyl-1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]thiourea
CID 21157277

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
The IUPAC name of 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea (CID 21157559) is 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea is CCc1cc(C(=O)NN(CC)C(N)=S)cs1.
What is the InChIKey of 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
The InChIKey is YVIAARBLAQQBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-3-8-5-7(6-16-8)9(14)12-13(4-2)10(11)15/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,12,14).
What are the key properties of 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea has a molecular weight of 257.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea is sourced from PubChem (CID 21157559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).