1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea

C7H9N3OS — CID 5423286

IUPAC1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C\c1ccco1
InChIInChI=1S/C7H9N3OS/c1-8-7(12)10-9-5-6-3-2-4-11-6/h2-5H,1H3,(H2,8,10,12)/b9-5-
InChIKeyHYXWOVSEEKCMOC-UITAMQMPSA-N
MW183.24 g/mol
LogP0.71
Rot. Bonds2

About 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea

1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea (PubChem CID 5423286) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
PubChem CID5423286
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C\c1ccco1
InChIInChI=1S/C7H9N3OS/c1-8-7(12)10-9-5-6-3-2-4-11-6/h2-5H,1H3,(H2,8,10,12)/b9-5-
InChIKeyHYXWOVSEEKCMOC-UITAMQMPSA-N
XLogP0.71
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate
CID 6185558
(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
CID 127261639
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
1-benzyl-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 5415725
1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea
CID 2826687
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
1-[[2-(furan-2-yl)-2-oxoethylidene]amino]-3-methylthiourea
CID 4539618
1-[(4-fluorophenyl)methyl]-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 8870289
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
CID 167361148
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea?
The IUPAC name of 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea (CID 5423286) is 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea.
What is the SMILES notation for 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea?
The canonical SMILES for 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea is CNC(=S)N/N=C\c1ccco1.
What is the InChIKey of 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea?
The InChIKey is HYXWOVSEEKCMOC-UITAMQMPSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-8-7(12)10-9-5-6-3-2-4-11-6/h2-5H,1H3,(H2,8,10,12)/b9-5-.
What are the key properties of 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea?
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea has a molecular weight of 183.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea is sourced from PubChem (CID 5423286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).