1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea

C12H17N3O2S — CID 3622824

IUPAC1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
SMILESCCNC(=S)NN=Cc1ccc(OC)cc1OC
InChIInChI=1S/C12H17N3O2S/c1-4-13-12(18)15-14-8-9-5-6-10(16-2)7-11(9)17-3/h5-8H,4H2,1-3H3,(H2,13,15,18)
InChIKeySZXHDPDWQPRATN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.52
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea

1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea (PubChem CID 3622824) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
PubChem CID3622824
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
SMILESCCNC(=S)NN=Cc1ccc(OC)cc1OC
InChIInChI=1S/C12H17N3O2S/c1-4-13-12(18)15-14-8-9-5-6-10(16-2)7-11(9)17-3/h5-8H,4H2,1-3H3,(H2,13,15,18)
InChIKeySZXHDPDWQPRATN-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.52
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-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 7728702
1-[(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-3-ethylthiourea
CID 5197013
1-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 6269940
1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 4545514
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8002045
1-[(3,5-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3582304
1-[(3,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 4196371
1-[(Z)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-ethylthiourea
CID 137168318
1-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 110508738
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 9122126
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea (CID 3622824) is 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea is CCNC(=S)NN=Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea?
The InChIKey is SZXHDPDWQPRATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-13-12(18)15-14-8-9-5-6-10(16-2)7-11(9)17-3/h5-8H,4H2,1-3H3,(H2,13,15,18).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea?
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea has a molecular weight of 267.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea is sourced from PubChem (CID 3622824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).