N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine

C11H13N3O2S — CID 157013293

IUPACN-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(Nc2nc(C)ns2)cc(OC)c1
InChIInChI=1S/C11H13N3O2S/c1-7-12-11(17-14-7)13-8-4-9(15-2)6-10(5-8)16-3/h4-6H,1-3H3,(H,12,13,14)
InChIKeyLSJWLFFDEZRISF-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.61
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 157013293) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID157013293
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(Nc2nc(C)ns2)cc(OC)c1
InChIInChI=1S/C11H13N3O2S/c1-7-12-11(17-14-7)13-8-4-9(15-2)6-10(5-8)16-3/h4-6H,1-3H3,(H,12,13,14)
InChIKeyLSJWLFFDEZRISF-UHFFFAOYSA-N
XLogP2.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 157013293) is N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine is COc1cc(Nc2nc(C)ns2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LSJWLFFDEZRISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-12-11(17-14-7)13-8-4-9(15-2)6-10(5-8)16-3/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 251.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 157013293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).