1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea

C9H13N3O2S — CID 22305790

IUPAC1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea
SMILESCCN(NC(=O)c1ccoc1C)C(N)=S
InChIInChI=1S/C9H13N3O2S/c1-3-12(9(10)15)11-8(13)7-4-5-14-6(7)2/h4-5H,3H2,1-2H3,(H2,10,15)(H,11,13)
InChIKeyXZXJZRUAUWKXGH-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.80
Rot. Bonds2

About 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea

1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea (PubChem CID 22305790) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea
PubChem CID22305790
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea
SMILESCCN(NC(=O)c1ccoc1C)C(N)=S
InChIInChI=1S/C9H13N3O2S/c1-3-12(9(10)15)11-8(13)7-4-5-14-6(7)2/h4-5H,3H2,1-2H3,(H2,10,15)(H,11,13)
InChIKeyXZXJZRUAUWKXGH-UHFFFAOYSA-N
XLogP0.80
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.80
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-[(2-methylfuran-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-(1-benzothiophene-3-carbonylamino)-1-ethylthiourea
CID 22301185
1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
CID 22305911
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
CID 61119424
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119640929
N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245035
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea?
The IUPAC name of 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea (CID 22305790) is 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea is CCN(NC(=O)c1ccoc1C)C(N)=S.
What is the InChIKey of 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea?
The InChIKey is XZXJZRUAUWKXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-3-12(9(10)15)11-8(13)7-4-5-14-6(7)2/h4-5H,3H2,1-2H3,(H2,10,15)(H,11,13).
What are the key properties of 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea?
1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea has a molecular weight of 227.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea is sourced from PubChem (CID 22305790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).