[(5-methylfuran-2-yl)methylideneamino]thiourea

C7H9N3OS — CID 711000

IUPAC[(5-methylfuran-2-yl)methylideneamino]thiourea
SMILESCc1ccc(C=NNC(N)=S)o1
InChIInChI=1S/C7H9N3OS/c1-5-2-3-6(11-5)4-9-10-7(8)12/h2-4H,1H3,(H3,8,10,12)
InChIKeyRQJRLTWHBACGOZ-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.76
Rot. Bonds2

About [(5-methylfuran-2-yl)methylideneamino]thiourea

[(5-methylfuran-2-yl)methylideneamino]thiourea (PubChem CID 711000) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is [(5-methylfuran-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(5-methylfuran-2-yl)methylideneamino]thiourea
PubChem CID711000
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name[(5-methylfuran-2-yl)methylideneamino]thiourea
SMILESCc1ccc(C=NNC(N)=S)o1
InChIInChI=1S/C7H9N3OS/c1-5-2-3-6(11-5)4-9-10-7(8)12/h2-4H,1H3,(H3,8,10,12)
InChIKeyRQJRLTWHBACGOZ-UHFFFAOYSA-N
XLogP0.76
TPSA63.55 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 ≤ 50.76
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

[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 5419039
[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
CID 60723528
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
[(E)-[5-(3-fluoro-5-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 142921367
[3-(5-methylfuran-2-yl)propylideneamino]thiourea
CID 3132389
[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 841815
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
CID 871912
[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea
CID 99972923
1-[(4-methoxyphenyl)methyl]-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiourea
CID 9176344
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
ethyl 4-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 57360938

Frequently Asked Questions

What is the IUPAC name of [(5-methylfuran-2-yl)methylideneamino]thiourea?
The IUPAC name of [(5-methylfuran-2-yl)methylideneamino]thiourea (CID 711000) is [(5-methylfuran-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(5-methylfuran-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(5-methylfuran-2-yl)methylideneamino]thiourea is Cc1ccc(C=NNC(N)=S)o1.
What is the InChIKey of [(5-methylfuran-2-yl)methylideneamino]thiourea?
The InChIKey is RQJRLTWHBACGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-5-2-3-6(11-5)4-9-10-7(8)12/h2-4H,1H3,(H3,8,10,12).
What are the key properties of [(5-methylfuran-2-yl)methylideneamino]thiourea?
[(5-methylfuran-2-yl)methylideneamino]thiourea has a molecular weight of 183.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methylfuran-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 711000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).