3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

C13H16N4OS — CID 19256762

IUPAC3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCN(C)CCC(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H16N4OS/c1-17(2)9-8-11(18)14-13-16-15-12(19-13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,16,18)
InChIKeyAPJWHJPDDLDLGO-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.10
Rot. Bonds5

About 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 19256762) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID19256762
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCN(C)CCC(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H16N4OS/c1-17(2)9-8-11(18)14-13-16-15-12(19-13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,16,18)
InChIKeyAPJWHJPDDLDLGO-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]-N-propylbutanamide
CID 42736433
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
N-butan-2-yl-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 42737061
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686
3-[butylcarbamoyl(propyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42736627
3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
3-(2,4-dimethylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649218
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
3-[(4-bromophenyl)sulfonyl-propylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42736687
N-butan-2-yl-4-fluoro-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 42737062
N-(2-methoxyethyl)-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]furan-2-carboxamide
CID 42737097

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 19256762) is 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is CN(C)CCC(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is APJWHJPDDLDLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(2)9-8-11(18)14-13-16-15-12(19-13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,16,18).
What are the key properties of 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 276.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 19256762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).