1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea

C16H19N3O5S — CID 2211225

IUPAC1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
SMILESCOc1cc(C(=O)NNC(=S)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5S/c1-21-12-7-10(8-13(22-2)14(12)23-3)15(20)18-19-16(25)17-9-11-5-4-6-24-11/h4-8H,9H2,1-3H3,(H,18,20)(H2,17,19,25)
InChIKeyFQULMXBRNHZCBC-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.61
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea

1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea (PubChem CID 2211225) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
PubChem CID2211225
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
SMILESCOc1cc(C(=O)NNC(=S)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5S/c1-21-12-7-10(8-13(22-2)14(12)23-3)15(20)18-19-16(25)17-9-11-5-4-6-24-11/h4-8H,9H2,1-3H3,(H,18,20)(H2,17,19,25)
InChIKeyFQULMXBRNHZCBC-UHFFFAOYSA-N
XLogP1.61
TPSA93.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, N-furfuryl-3,4,5-trimethoxy-
CID 43247
N'-[3-(2-furyl)acryloyl]-3,4,5-trimethoxybenzohydrazide
CID 695831
4-fluoro-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide
CID 1878132
N-(furan-2-ylmethylcarbamothioyl)-3,4-dimethoxybenzamide
CID 977018
N-{[(2-furylmethyl)amino]carbonothioyl}-3,4,5-trimethoxybenzamide
CID 1248224
N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2081326
(E)-3-(3,4-dimethoxyphenyl)-N-[(furan-2-carbonylamino)carbamothioyl]prop-2-enamide
CID 5763831
(E)-N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)hydrazinecarbothioamide
CID 9612957
3,4,5-Trimethoxy-benzoic acid N'-(furan-2-carbonyl)-hydrazide
CID 763461
1-[(3,5-Dimethoxybenzoyl)amino]-3-(furan-2-ylmethyl)thiourea
CID 1849987
3,4,5-triethoxy-N-(2-furylmethyl)benzamide
CID 2053898
N-ethyl-2-[(3,4,5-trimethoxyphenyl)carbonyl]hydrazinecarbothioamide
CID 1918908

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea (CID 2211225) is 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea is COc1cc(C(=O)NNC(=S)NCc2ccco2)cc(OC)c1OC.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
The InChIKey is FQULMXBRNHZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-21-12-7-10(8-13(22-2)14(12)23-3)15(20)18-19-16(25)17-9-11-5-4-6-24-11/h4-8H,9H2,1-3H3,(H,18,20)(H2,17,19,25).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea has a molecular weight of 365.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea is sourced from PubChem (CID 2211225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).