N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine

C13H17N3O2S — CID 62193214

IUPACN-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine
SMILESCCCOc1ccccc1OCc1nnsc1NC
InChIInChI=1S/C13H17N3O2S/c1-3-8-17-11-6-4-5-7-12(11)18-9-10-13(14-2)19-16-15-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyAEPHOMXGSNAUTN-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.95
Rot. Bonds7

About N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine

N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine (PubChem CID 62193214) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine
PubChem CID62193214
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine
SMILESCCCOc1ccccc1OCc1nnsc1NC
InChIInChI=1S/C13H17N3O2S/c1-3-8-17-11-6-4-5-7-12(11)18-9-10-13(14-2)19-16-15-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyAEPHOMXGSNAUTN-UHFFFAOYSA-N
XLogP2.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine (CID 62193214) is N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine is CCCOc1ccccc1OCc1nnsc1NC.
What is the InChIKey of N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is AEPHOMXGSNAUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-8-17-11-6-4-5-7-12(11)18-9-10-13(14-2)19-16-15-10/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine?
N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 279.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).