1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea

C14H15N3OS — CID 7808774

IUPAC1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea
SMILESCc1ccccc1/C=N\NC(=S)NCc1ccco1
InChIInChI=1S/C14H15N3OS/c1-11-5-2-3-6-12(11)9-16-17-14(19)15-10-13-7-4-8-18-13/h2-9H,10H2,1H3,(H2,15,17,19)/b16-9-
InChIKeyJIRXAOZNEITSBU-SXGWCWSVSA-N
MW273.36 g/mol
LogP2.59
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea

1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea (PubChem CID 7808774) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea
PubChem CID7808774
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea
SMILESCc1ccccc1/C=N\NC(=S)NCc1ccco1
InChIInChI=1S/C14H15N3OS/c1-11-5-2-3-6-12(11)9-16-17-14(19)15-10-13-7-4-8-18-13/h2-9H,10H2,1H3,(H2,15,17,19)/b16-9-
InChIKeyJIRXAOZNEITSBU-SXGWCWSVSA-N
XLogP2.59
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.59
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

1-(furan-2-ylmethyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135643822
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea
CID 5410275
1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
CID 6182059
1-(furan-2-ylmethyl)-3-[(Z)-(3-methyl-1-phenylbutylidene)amino]thiourea
CID 8981711
1-(furan-2-ylmethyl)-3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiourea
CID 9396679
1-benzyl-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 5415725
1-[(E)-(2-methylphenyl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 42992170
1-(2-chloro-6-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 3275137
N'-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575952
1-(3,4-dimethylphenyl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8618168
[4-[(Z)-(furan-2-ylmethylcarbamothioylhydrazinylidene)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
CID 136824451
1-[(E)-1-(3-bromophenyl)propylideneamino]-3-(furan-2-ylmethyl)thiourea
CID 11068551

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea (CID 7808774) is 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea is Cc1ccccc1/C=N\NC(=S)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea?
The InChIKey is JIRXAOZNEITSBU-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-11-5-2-3-6-12(11)9-16-17-14(19)15-10-13-7-4-8-18-13/h2-9H,10H2,1H3,(H2,15,17,19)/b16-9-.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea?
1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea has a molecular weight of 273.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 7808774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).