1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea

C12H12N4OS — CID 175785204

IUPAC1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC/C(=N\NC(=S)Nc1ccco1)c1ccccn1
InChIInChI=1S/C12H12N4OS/c1-9(10-5-2-3-7-13-10)15-16-12(18)14-11-6-4-8-17-11/h2-8H,1H3,(H2,14,16,18)/b15-9+
InChIKeyJEDGZFDULPYQBG-OQLLNIDSSA-N
MW260.32 g/mol
LogP2.39
Rot. Bonds3

About 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea

1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea (PubChem CID 175785204) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
PubChem CID175785204
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC/C(=N\NC(=S)Nc1ccco1)c1ccccn1
InChIInChI=1S/C12H12N4OS/c1-9(10-5-2-3-7-13-10)15-16-12(18)14-11-6-4-8-17-11/h2-8H,1H3,(H2,14,16,18)/b15-9+
InChIKeyJEDGZFDULPYQBG-OQLLNIDSSA-N
XLogP2.39
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
1-(4-ethylphenyl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
CID 5367269
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
1-butan-2-yl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
CID 5468466
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
1-[(Z)-1-pyridin-2-ylethylideneamino]-3-(4-sulfamoylphenyl)thiourea
CID 5464849
1-(2-phenylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3351585
1-(1-phenylethylideneamino)-3-[4-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]butyl]thiourea
CID 3005018
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
CID 3003931

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
The IUPAC name of 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea (CID 175785204) is 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea.
What is the SMILES notation for 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
The canonical SMILES for 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea is C/C(=N\NC(=S)Nc1ccco1)c1ccccn1.
What is the InChIKey of 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
The InChIKey is JEDGZFDULPYQBG-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-9(10-5-2-3-7-13-10)15-16-12(18)14-11-6-4-8-17-11/h2-8H,1H3,(H2,14,16,18)/b15-9+.
What are the key properties of 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea has a molecular weight of 260.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea is sourced from PubChem (CID 175785204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).