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

C13H16N4OS — CID 3231183

IUPACN-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nnc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C13H16N4OS/c1-9(18)17(4)13-15-14-12(19-13)10-6-5-7-11(8-10)16(2)3/h5-8H,1-4H3
InChIKeyMHEPQIHVBCIYQF-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.25
Rot. Bonds3

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

N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide (PubChem CID 3231183) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide
PubChem CID3231183
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nnc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C13H16N4OS/c1-9(18)17(4)13-15-14-12(19-13)10-6-5-7-11(8-10)16(2)3/h5-8H,1-4H3
InChIKeyMHEPQIHVBCIYQF-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1444705
N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1444781
N-[4-[5-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]-2-methylphenyl]phenyl]-2,6-difluoro-N-methylbenzamide
CID 11561753
2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 942109
3-bromo-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108764498
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1451547
1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CID 82541122
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108741998
N-(2-methoxyethyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3230912
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081
methyl 3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-methylcarbamoyl]benzoate
CID 108742076

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide (CID 3231183) is N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide is CC(=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]-N-methylacetamide?
The InChIKey is MHEPQIHVBCIYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(18)17(4)13-15-14-12(19-13)10-6-5-7-11(8-10)16(2)3/h5-8H,1-4H3.
What are the key properties of N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide?
N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide has a molecular weight of 276.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 3231183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).