5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine

C15H22N4O3S — CID 142434981

IUPAC5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCOCCCNc1nsc(NCc2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H22N4O3S/c1-20-8-4-7-16-14-18-15(23-19-14)17-10-11-5-6-12(21-2)9-13(11)22-3/h5-6,9H,4,7-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyJZSHLNXWASDCLZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.62
Rot. Bonds10

About 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine

5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 142434981) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID142434981
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCOCCCNc1nsc(NCc2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H22N4O3S/c1-20-8-4-7-16-14-18-15(23-19-14)17-10-11-5-6-12(21-2)9-13(11)22-3/h5-6,9H,4,7-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyJZSHLNXWASDCLZ-UHFFFAOYSA-N
XLogP2.62
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine
CID 66652908
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine;phenylboronic acid
CID 144912692
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
5-N-(2,5-dimethoxyphenyl)-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943970

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine (CID 142434981) is 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine is COCCCNc1nsc(NCc2ccc(OC)cc2OC)n1.
What is the InChIKey of 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is JZSHLNXWASDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-20-8-4-7-16-14-18-15(23-19-14)17-10-11-5-6-12(21-2)9-13(11)22-3/h5-6,9H,4,7-8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 338.43 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 142434981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).