(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

C19H24N2O2S — CID 8776679

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate
SMILESCOc1cc(C)c(CS/C(N)=N/c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H24N2O2S/c1-12-6-7-16(8-13(12)2)21-19(20)24-11-15-10-18(23-5)17(22-4)9-14(15)3/h6-10H,11H2,1-5H3,(H2,20,21)
InChIKeyYDNSNTMHFAQNFE-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.51
Rot. Bonds5

About (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate (PubChem CID 8776679) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate
PubChem CID8776679
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate
SMILESCOc1cc(C)c(CS/C(N)=N/c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H24N2O2S/c1-12-6-7-16(8-13(12)2)21-19(20)24-11-15-10-18(23-5)17(22-4)9-14(15)3/h6-10H,11H2,1-5H3,(H2,20,21)
InChIKeyYDNSNTMHFAQNFE-UHFFFAOYSA-N
XLogP4.51
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl N'-[4-[(2R)-butan-2-yl]phenyl]carbamimidothioate
CID 8776065
(4,5-dimethoxy-2-methylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate
CID 8775208
(4,5-dimethoxy-2-methylphenyl)methyl N'-[(1S)-1-phenylethyl]carbamimidothioate
CID 8775720
(4-propan-2-ylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate
CID 8776676
2-(4-methylphenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate
CID 8776659
2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate
CID 8776664
(2-methylphenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776504
2-(4-methoxy-3-methylphenyl)guanidine
CID 62380394
ethyl N'-[4-[(dimethylamino)methyl]-3-methoxyphenyl]carbamimidothioate
CID 174381102
N-(4-methoxy-3-methylphenyl)propan-2-imine
CID 139454493
4-chloro-3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]aniline
CID 79127474
1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66230677

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate (CID 8776679) is (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate is COc1cc(C)c(CS/C(N)=N/c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate?
The InChIKey is YDNSNTMHFAQNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12-6-7-16(8-13(12)2)21-19(20)24-11-15-10-18(23-5)17(22-4)9-14(15)3/h6-10H,11H2,1-5H3,(H2,20,21).
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate?
(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate has a molecular weight of 344.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate is sourced from PubChem (CID 8776679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).