[3-(5-methylfuran-2-yl)propylideneamino]thiourea

C9H13N3OS — CID 3132389

IUPAC[3-(5-methylfuran-2-yl)propylideneamino]thiourea
SMILESCc1ccc(CCC=NNC(N)=S)o1
InChIInChI=1S/C9H13N3OS/c1-7-4-5-8(13-7)3-2-6-11-12-9(10)14/h4-6H,2-3H2,1H3,(H3,10,12,14)
InChIKeyCWEGVQCSGCOJRX-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.34
Rot. Bonds4

About [3-(5-methylfuran-2-yl)propylideneamino]thiourea

[3-(5-methylfuran-2-yl)propylideneamino]thiourea (PubChem CID 3132389) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is [3-(5-methylfuran-2-yl)propylideneamino]thiourea.

Molecular Properties

Compound Name[3-(5-methylfuran-2-yl)propylideneamino]thiourea
PubChem CID3132389
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name[3-(5-methylfuran-2-yl)propylideneamino]thiourea
SMILESCc1ccc(CCC=NNC(N)=S)o1
InChIInChI=1S/C9H13N3OS/c1-7-4-5-8(13-7)3-2-6-11-12-9(10)14/h4-6H,2-3H2,1H3,(H3,10,12,14)
InChIKeyCWEGVQCSGCOJRX-UHFFFAOYSA-N
XLogP1.34
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(5-methylfuran-2-yl)propylideneamino]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

[(5-methylfuran-2-yl)methylideneamino]thiourea
CID 711000
[3-(3-bromophenyl)propylideneamino]thiourea
CID 131872524
2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 119038953
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea
CID 99972923
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea;propane
CID 172974668
[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 5419039
[(4-ethylphenyl)methylideneamino]thiourea
CID 724608
[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
CID 60723528
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
2-(2-chlorobut-2-enyl)-5-methylfuran
CID 174535453
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501

Frequently Asked Questions

What is the IUPAC name of [3-(5-methylfuran-2-yl)propylideneamino]thiourea?
The IUPAC name of [3-(5-methylfuran-2-yl)propylideneamino]thiourea (CID 3132389) is [3-(5-methylfuran-2-yl)propylideneamino]thiourea.
What is the SMILES notation for [3-(5-methylfuran-2-yl)propylideneamino]thiourea?
The canonical SMILES for [3-(5-methylfuran-2-yl)propylideneamino]thiourea is Cc1ccc(CCC=NNC(N)=S)o1.
What is the InChIKey of [3-(5-methylfuran-2-yl)propylideneamino]thiourea?
The InChIKey is CWEGVQCSGCOJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-4-5-8(13-7)3-2-6-11-12-9(10)14/h4-6H,2-3H2,1H3,(H3,10,12,14).
What are the key properties of [3-(5-methylfuran-2-yl)propylideneamino]thiourea?
[3-(5-methylfuran-2-yl)propylideneamino]thiourea has a molecular weight of 211.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylfuran-2-yl)propylideneamino]thiourea is sourced from PubChem (CID 3132389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).