N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide

C15H19N3O4S — CID 653898

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide
SMILESCOCc1nnc(NC(=O)CCCOc2ccccc2OC)s1
InChIInChI=1S/C15H19N3O4S/c1-20-10-14-17-18-15(23-14)16-13(19)8-5-9-22-12-7-4-3-6-11(12)21-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18,19)
InChIKeyADLQWUPDIWWRSY-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.49
Rot. Bonds9

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide (PubChem CID 653898) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide
PubChem CID653898
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide
SMILESCOCc1nnc(NC(=O)CCCOc2ccccc2OC)s1
InChIInChI=1S/C15H19N3O4S/c1-20-10-14-17-18-15(23-14)16-13(19)8-5-9-22-12-7-4-3-6-11(12)21-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18,19)
InChIKeyADLQWUPDIWWRSY-UHFFFAOYSA-N
XLogP2.49
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide (CID 653898) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide is COCc1nnc(NC(=O)CCCOc2ccccc2OC)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide?
The InChIKey is ADLQWUPDIWWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-20-10-14-17-18-15(23-14)16-13(19)8-5-9-22-12-7-4-3-6-11(12)21-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18,19).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide has a molecular weight of 337.40 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 653898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).