(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea

C10H11N3O2S — CID 65216975

IUPAC(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C10H11N3O2S/c11-10(16)13-12-9(14)6-1-2-7-4-15-5-8(7)3-6/h1-3H,4-5H2,(H,12,14)(H3,11,13,16)
InChIKeyLQCVFQFOAHYMHG-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.19
Rot. Bonds1

About (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea

(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea (PubChem CID 65216975) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea.

Molecular Properties

Compound Name(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea
PubChem CID65216975
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C10H11N3O2S/c11-10(16)13-12-9(14)6-1-2-7-4-15-5-8(7)3-6/h1-3H,4-5H2,(H,12,14)(H3,11,13,16)
InChIKeyLQCVFQFOAHYMHG-UHFFFAOYSA-N
XLogP0.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
1-(1,3-dihydro-2-benzofuran-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452808
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192019
N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 81484647
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267

Frequently Asked Questions

What is the IUPAC name of (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea?
The IUPAC name of (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea (CID 65216975) is (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea.
What is the SMILES notation for (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea?
The canonical SMILES for (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea is NC(=S)NNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea?
The InChIKey is LQCVFQFOAHYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-10(16)13-12-9(14)6-1-2-7-4-15-5-8(7)3-6/h1-3H,4-5H2,(H,12,14)(H3,11,13,16).
What are the key properties of (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea?
(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea has a molecular weight of 237.28 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea is sourced from PubChem (CID 65216975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).