N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide

C14H18N4O2S — CID 3231182

IUPACN-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)c1nnc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-17(2)11-7-5-6-10(8-11)13-15-16-14(21-13)18(3)12(19)9-20-4/h5-8H,9H2,1-4H3
InChIKeyHLPQXDZJWREABL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.88
Rot. Bonds5

About N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide

N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide (PubChem CID 3231182) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide
PubChem CID3231182
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)c1nnc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-17(2)11-7-5-6-10(8-11)13-15-16-14(21-13)18(3)12(19)9-20-4/h5-8H,9H2,1-4H3
InChIKeyHLPQXDZJWREABL-UHFFFAOYSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide (CID 3231182) is N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)c1nnc(-c2cccc(N(C)C)c2)s1.
What is the InChIKey of N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide?
The InChIKey is HLPQXDZJWREABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17(2)11-7-5-6-10(8-11)13-15-16-14(21-13)18(3)12(19)9-20-4/h5-8H,9H2,1-4H3.
What are the key properties of N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide?
N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide has a molecular weight of 306.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 3231182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).