2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C15H18N4O3S — CID 5165495

IUPAC2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCC(=O)NC(C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1
InChIInChI=1S/C15H18N4O3S/c1-9-4-6-11(7-5-9)14-18-19-15(23-14)17-13(21)10(2)16-12(20)8-22-3/h4-7,10H,8H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyFZTRLSYGVFDXQR-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.60
Rot. Bonds6

About 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 5165495) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID5165495
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCC(=O)NC(C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1
InChIInChI=1S/C15H18N4O3S/c1-9-4-6-11(7-5-9)14-18-19-15(23-14)17-13(21)10(2)16-12(20)8-22-3/h4-7,10H,8H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyFZTRLSYGVFDXQR-UHFFFAOYSA-N
XLogP1.60
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-N-[(2S)-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]butanamide
CID 7495254
2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42770054
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 46121758
2-(dimethylcarbamoylamino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4054312
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
2-[(2-methoxyacetyl)amino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3681606
(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)propanamide
CID 7365277
N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide
CID 7327009
3-methoxy-N-[(2S)-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 7218269
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
CID 82176847
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171
2-amino-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 42757431

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 5165495) is 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is COCC(=O)NC(C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is FZTRLSYGVFDXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-4-6-11(7-5-9)14-18-19-15(23-14)17-13(21)10(2)16-12(20)8-22-3/h4-7,10H,8H2,1-3H3,(H,16,20)(H,17,19,21).
What are the key properties of 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 334.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 5165495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).