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

C14H17N3O3S — CID 141309870

IUPAC2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
SMILESCNC(=O)C(OC)(OC)c1ccc(-c2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-16-17-12(21-9)10-5-7-11(8-6-10)14(19-3,20-4)13(18)15-2/h5-8H,1-4H3,(H,15,18)
InChIKeyZRRVESMBPRLXQZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.71
Rot. Bonds5

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

2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide (PubChem CID 141309870) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
PubChem CID141309870
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
SMILESCNC(=O)C(OC)(OC)c1ccc(-c2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-16-17-12(21-9)10-5-7-11(8-6-10)14(19-3,20-4)13(18)15-2/h5-8H,1-4H3,(H,15,18)
InChIKeyZRRVESMBPRLXQZ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 129145085
N,2-dimethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]propanamide
CID 123958548
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
CID 23346364
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 945350
5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 137287503
4-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylaniline
CID 165056406
2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol
CID 155041147
2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135395773
(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
CID 178138250

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide (CID 141309870) is 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide is CNC(=O)C(OC)(OC)c1ccc(-c2nnc(C)s2)cc1.
What is the InChIKey of 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
The InChIKey is ZRRVESMBPRLXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-16-17-12(21-9)10-5-7-11(8-6-10)14(19-3,20-4)13(18)15-2/h5-8H,1-4H3,(H,15,18).
What are the key properties of 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-methyl-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 141309870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).