1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea

C10H13N3O2S — CID 144617256

IUPAC1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea
SMILESC=NNC(=S)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H13N3O2S/c1-11-13-10(16)12-7-4-8(14-2)6-9(5-7)15-3/h4-6H,1H2,2-3H3,(H2,12,13,16)
InChIKeyOQUTZECQKZQSRM-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.61
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea

1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea (PubChem CID 144617256) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea
PubChem CID144617256
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea
SMILESC=NNC(=S)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H13N3O2S/c1-11-13-10(16)12-7-4-8(14-2)6-9(5-7)15-3/h4-6H,1H2,2-3H3,(H2,12,13,16)
InChIKeyOQUTZECQKZQSRM-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.61
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-(3,5-dimethoxyphenyl)-3-pentan-3-ylthiourea
CID 19652898
1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea
CID 5078814
1-(3,5-dimethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652823
1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115570487
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
1-(3,5-dimethoxyphenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365022
1-(3,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488693
1-(3,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 17284844
1-(3,5-dimethoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 2955660
1-(3,5-dimethoxyphenyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 19685989
1-amino-3-(3,5-dimethoxyphenyl)-2-propan-2-ylguanidine
CID 116511960
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea (CID 144617256) is 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea is C=NNC(=S)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea?
The InChIKey is OQUTZECQKZQSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-11-13-10(16)12-7-4-8(14-2)6-9(5-7)15-3/h4-6H,1H2,2-3H3,(H2,12,13,16).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea?
1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea has a molecular weight of 239.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea is sourced from PubChem (CID 144617256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).