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

C16H20N4O2S — CID 42770065

IUPAC3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide
SMILESCc1ccc(-c2nnc(NC(=O)CNC(=O)CC(C)C)s2)cc1
InChIInChI=1S/C16H20N4O2S/c1-10(2)8-13(21)17-9-14(22)18-16-20-19-15(23-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyRCMORECPXXXNJL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.61
Rot. Bonds6

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

3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide (PubChem CID 42770065) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide
PubChem CID42770065
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide
SMILESCc1ccc(-c2nnc(NC(=O)CNC(=O)CC(C)C)s2)cc1
InChIInChI=1S/C16H20N4O2S/c1-10(2)8-13(21)17-9-14(22)18-16-20-19-15(23-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyRCMORECPXXXNJL-UHFFFAOYSA-N
XLogP2.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 4297338
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240
3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]butanamide
CID 46121753
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
(3R)-3,5,5-trimethyl-N-[(2S)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]hexanamide
CID 7347910
2-amino-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 42757431
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-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 5165495
(2S)-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)butanamide
CID 7295056
2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42770054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide (CID 42770065) is 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide is Cc1ccc(-c2nnc(NC(=O)CNC(=O)CC(C)C)s2)cc1.
What is the InChIKey of 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide?
The InChIKey is RCMORECPXXXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(2)8-13(21)17-9-14(22)18-16-20-19-15(23-16)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide?
3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide has a molecular weight of 332.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 42770065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).