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

C16H20N4O2S — CID 4117288

IUPAC2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
SMILESCc1cccc(-c2nnc(NC(=O)C(C)NC(=O)C(C)C)s2)c1
InChIInChI=1S/C16H20N4O2S/c1-9(2)13(21)17-11(4)14(22)18-16-20-19-15(23-16)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H,17,21)(H,18,20,22)
InChIKeyVZRYZNUDXBHEJI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.61
Rot. Bonds5

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

2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide (PubChem CID 4117288) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
PubChem CID4117288
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
SMILESCc1cccc(-c2nnc(NC(=O)C(C)NC(=O)C(C)C)s2)c1
InChIInChI=1S/C16H20N4O2S/c1-9(2)13(21)17-11(4)14(22)18-16-20-19-15(23-16)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H,17,21)(H,18,20,22)
InChIKeyVZRYZNUDXBHEJI-UHFFFAOYSA-N
XLogP2.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpropanoylamino)butanamide
CID 7493546
4-chloro-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4117286
N-[(2S)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 813976
(2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 93106646
4-ethyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 3553159
cis-(1S,2R)-N-[(2R)-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 11899671
2-acetamido-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3926710
3-chloro-N-[3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 5046110
(2S)-N-[(2S)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-2-methylbutanamide
CID 7412372
2-[(2-methoxyacetyl)amino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3681606
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82105723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide (CID 4117288) is 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide is Cc1cccc(-c2nnc(NC(=O)C(C)NC(=O)C(C)C)s2)c1.
What is the InChIKey of 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is VZRYZNUDXBHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9(2)13(21)17-11(4)14(22)18-16-20-19-15(23-16)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H,17,21)(H,18,20,22).
What are the key properties of 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide?
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 332.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 4117288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).