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

C14H16N4O2S — CID 3463446

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(C)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H16N4O2S/c1-3-11(19)15-9(2)12(20)16-14-18-17-13(21-14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyXCLSNLXICUDYNG-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.06
Rot. Bonds5

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

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide (PubChem CID 3463446) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
PubChem CID3463446
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(C)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H16N4O2S/c1-3-11(19)15-9(2)12(20)16-14-18-17-13(21-14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyXCLSNLXICUDYNG-UHFFFAOYSA-N
XLogP2.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(2S)-N-[(2S)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]-2-phenylbutanamide
CID 7398333
2-ethyl-N-[1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]hexanamide
CID 4607088
(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
CID 7288486
(2R)-2-(tert-butylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7328861
2-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 7494981
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)propanamide
CID 7365277
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 46121758
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 5165495
3,3-dimethyl-N-[(2S)-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]butanamide
CID 7495254

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide (CID 3463446) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide is CCC(=O)NC(C)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide?
The InChIKey is XCLSNLXICUDYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-11(19)15-9(2)12(20)16-14-18-17-13(21-14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide has a molecular weight of 304.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide is sourced from PubChem (CID 3463446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).