[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea

C19H23N3O2S — CID 4669468

IUPAC[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
SMILESCCc1cc(C)cc(OCCOc2ccccc2C=NNC(N)=S)c1
InChIInChI=1S/C19H23N3O2S/c1-3-15-10-14(2)11-17(12-15)23-8-9-24-18-7-5-4-6-16(18)13-21-22-19(20)25/h4-7,10-13H,3,8-9H2,1-2H3,(H3,20,22,25)
InChIKeyTYBFBCUGNVPHIF-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.18
Rot. Bonds8

About [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea

[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea (PubChem CID 4669468) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
PubChem CID4669468
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
SMILESCCc1cc(C)cc(OCCOc2ccccc2C=NNC(N)=S)c1
InChIInChI=1S/C19H23N3O2S/c1-3-15-10-14(2)11-17(12-15)23-8-9-24-18-7-5-4-6-16(18)13-21-22-19(20)25/h4-7,10-13H,3,8-9H2,1-2H3,(H3,20,22,25)
InChIKeyTYBFBCUGNVPHIF-UHFFFAOYSA-N
XLogP3.18
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea with MolForge

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Related Compounds

N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 2275370
[(Z)-[3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
CID 6144098
N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]-4-nitroaniline
CID 3656315
[(E)-[2-[[2,4,5-tris[[2-[(E)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
CID 139236029
[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6182583
N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 3928031
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 71670011
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
[[2-(cyanomethoxy)phenyl]methylideneamino]thiourea
CID 57364675
1-methyl-3-[(E)-(2-pentoxyphenyl)methylideneamino]thiourea
CID 110338496
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990

Frequently Asked Questions

What is the IUPAC name of [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea?
The IUPAC name of [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea (CID 4669468) is [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea.
What is the SMILES notation for [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea?
The canonical SMILES for [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea is CCc1cc(C)cc(OCCOc2ccccc2C=NNC(N)=S)c1.
What is the InChIKey of [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea?
The InChIKey is TYBFBCUGNVPHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-15-10-14(2)11-17(12-15)23-8-9-24-18-7-5-4-6-16(18)13-21-22-19(20)25/h4-7,10-13H,3,8-9H2,1-2H3,(H3,20,22,25).
What are the key properties of [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea?
[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea has a molecular weight of 357.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 4669468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).