[(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea

C11H15N3OS — CID 50886436

IUPAC[(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea
SMILESCOc1c(C)cc(C)cc1C=NNC(N)=S
InChIInChI=1S/C11H15N3OS/c1-7-4-8(2)10(15-3)9(5-7)6-13-14-11(12)16/h4-6H,1-3H3,(H3,12,14,16)
InChIKeyDNYFZWDHHQDQAM-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.48
Rot. Bonds3

About [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea

[(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea (PubChem CID 50886436) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea
PubChem CID50886436
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea
SMILESCOc1c(C)cc(C)cc1C=NNC(N)=S
InChIInChI=1S/C11H15N3OS/c1-7-4-8(2)10(15-3)9(5-7)6-13-14-11(12)16/h4-6H,1-3H3,(H3,12,14,16)
InChIKeyDNYFZWDHHQDQAM-UHFFFAOYSA-N
XLogP1.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.48
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)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]thiourea
CID 135851665
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 5398547
[(2,3-difluoro-5-methoxy-4-methylphenyl)methylideneamino]thiourea
CID 168536412
[(2-fluoro-4,5-dimethoxyphenyl)methylideneamino]thiourea
CID 168534705
[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]thiourea
CID 168534373
[(2-bromo-4-methylphenyl)methylideneamino]thiourea
CID 168534183
[(5-bromo-2-fluoro-4-methoxyphenyl)methylideneamino]thiourea
CID 168535358
[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135851173
[(4-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 168535620
[(2-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 168535021
[(3,5-dimethyl-4-propoxyphenyl)methylideneamino]thiourea
CID 168535461

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea?
The IUPAC name of [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea (CID 50886436) is [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea?
The canonical SMILES for [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea is COc1c(C)cc(C)cc1C=NNC(N)=S.
What is the InChIKey of [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea?
The InChIKey is DNYFZWDHHQDQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-4-8(2)10(15-3)9(5-7)6-13-14-11(12)16/h4-6H,1-3H3,(H3,12,14,16).
What are the key properties of [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea?
[(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea has a molecular weight of 237.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 50886436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).