1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea

C12H17N3OS — CID 3473195

IUPAC1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NN=C(C)c1ccc(C)o1
InChIInChI=1S/C12H17N3OS/c1-8(2)7-13-12(17)15-14-10(4)11-6-5-9(3)16-11/h5-6H,1,7H2,2-4H3,(H2,13,15,17)
InChIKeyYCFIHYAHQTXTLL-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea

1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea (PubChem CID 3473195) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
PubChem CID3473195
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NN=C(C)c1ccc(C)o1
InChIInChI=1S/C12H17N3OS/c1-8(2)7-13-12(17)15-14-10(4)11-6-5-9(3)16-11/h5-6H,1,7H2,2-4H3,(H2,13,15,17)
InChIKeyYCFIHYAHQTXTLL-UHFFFAOYSA-N
XLogP2.35
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)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-benzyl-3-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]thiourea
CID 6263985
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
CID 6188253
2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
CID 19061478
4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
1-[(4-methoxyphenyl)methyl]-3-(2-methylprop-2-enyl)thiourea
CID 3452580
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
CID 2849003
1-(2,4-dimethylphenyl)-3-(2-methylprop-2-enyl)thiourea
CID 15113012
1-(2-methylprop-2-enyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 4664118
2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 868019
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea (CID 3473195) is 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NN=C(C)c1ccc(C)o1.
What is the InChIKey of 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is YCFIHYAHQTXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(2)7-13-12(17)15-14-10(4)11-6-5-9(3)16-11/h5-6H,1,7H2,2-4H3,(H2,13,15,17).
What are the key properties of 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 251.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 3473195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).