N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide

C14H17N3O3S — CID 123958548

IUPACN,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide
SMILESCONC(=O)C(C)(OC)c1ccc(-c2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-15-16-12(21-9)10-5-7-11(8-6-10)14(2,19-3)13(18)17-20-4/h5-8H,1-4H3,(H,17,18)
InChIKeyOQBWIASNAGZSLK-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.05
Rot. Bonds5

About N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide

N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide (PubChem CID 123958548) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide
PubChem CID123958548
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide
SMILESCONC(=O)C(C)(OC)c1ccc(-c2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-15-16-12(21-9)10-5-7-11(8-6-10)14(2,19-3)13(18)17-20-4/h5-8H,1-4H3,(H,17,18)
InChIKeyOQBWIASNAGZSLK-UHFFFAOYSA-N
XLogP2.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide?
The IUPAC name of N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide (CID 123958548) is N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide is CONC(=O)C(C)(OC)c1ccc(-c2nnc(C)s2)cc1.
What is the InChIKey of N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide?
The InChIKey is OQBWIASNAGZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-15-16-12(21-9)10-5-7-11(8-6-10)14(2,19-3)13(18)17-20-4/h5-8H,1-4H3,(H,17,18).
What are the key properties of N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide?
N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide has a molecular weight of 307.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 123958548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).