1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea

C10H15N3O2S — CID 2826687

IUPAC1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NN=Cc1ccco1
InChIInChI=1S/C10H15N3O2S/c1-14-6-3-5-11-10(16)13-12-8-9-4-2-7-15-9/h2,4,7-8H,3,5-6H2,1H3,(H2,11,13,16)
InChIKeyYDXLCFXYDYKXAX-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.11
Rot. Bonds6

About 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea

1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea (PubChem CID 2826687) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea
PubChem CID2826687
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NN=Cc1ccco1
InChIInChI=1S/C10H15N3O2S/c1-14-6-3-5-11-10(16)13-12-8-9-4-2-7-15-9/h2,4,7-8H,3,5-6H2,1H3,(H2,11,13,16)
InChIKeyYDXLCFXYDYKXAX-UHFFFAOYSA-N
XLogP1.11
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxypropyl)thiourea
CID 135452581
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
1-[(4-methoxyphenyl)methylideneamino]-3-(3-methoxypropyl)thiourea
CID 2803675
1-benzyl-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 5415725
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxypropyl)thiourea
CID 135933853
1-[(4-fluorophenyl)methyl]-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 8870289
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate
CID 6185558
(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
CID 127261639
1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 6247269
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea (CID 2826687) is 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea is COCCCNC(=S)NN=Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea?
The InChIKey is YDXLCFXYDYKXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-14-6-3-5-11-10(16)13-12-8-9-4-2-7-15-9/h2,4,7-8H,3,5-6H2,1H3,(H2,11,13,16).
What are the key properties of 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea?
1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea has a molecular weight of 241.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 2826687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).