1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea

C14H15N3O3S — CID 4028444

IUPAC1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea
SMILESO=C(COc1ccccc1)NNC(=S)NCc1ccco1
InChIInChI=1S/C14H15N3O3S/c18-13(10-20-11-5-2-1-3-6-11)16-17-14(21)15-9-12-7-4-8-19-12/h1-8H,9-10H2,(H,16,18)(H2,15,17,21)
InChIKeyNTAPKRKRIOVIFS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.35
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea

1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea (PubChem CID 4028444) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea
PubChem CID4028444
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea
SMILESO=C(COc1ccccc1)NNC(=S)NCc1ccco1
InChIInChI=1S/C14H15N3O3S/c18-13(10-20-11-5-2-1-3-6-11)16-17-14(21)15-9-12-7-4-8-19-12/h1-8H,9-10H2,(H,16,18)(H2,15,17,21)
InChIKeyNTAPKRKRIOVIFS-UHFFFAOYSA-N
XLogP1.35
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7977720
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
(E)-4-[2-(furan-2-ylmethylcarbamothioyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 2140288
1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8786927
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
N-(furan-2-ylmethyl)-2-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 3911922
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
1-(furan-2-ylmethyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea
CID 8728966
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
1-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8770692

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea (CID 4028444) is 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea is O=C(COc1ccccc1)NNC(=S)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea?
The InChIKey is NTAPKRKRIOVIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(10-20-11-5-2-1-3-6-11)16-17-14(21)15-9-12-7-4-8-19-12/h1-8H,9-10H2,(H,16,18)(H2,15,17,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea?
1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea has a molecular weight of 305.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea is sourced from PubChem (CID 4028444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).