N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide

C15H18N4O3S — CID 839520

IUPACN-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@](C)(c2cccc(NC(C)=O)c2)S1
InChIInChI=1S/C15H18N4O3S/c1-9(20)16-13-7-5-6-12(8-13)15(4)19(11(3)22)18-14(23-15)17-10(2)21/h5-8H,1-4H3,(H,16,20)(H,17,18,21)/t15-/m0/s1
InChIKeySTTKTWVYTAESLE-HNNXBMFYSA-N
MW334.40 g/mol
LogP1.82
Rot. Bonds2

About N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide

N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide (PubChem CID 839520) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide
PubChem CID839520
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@](C)(c2cccc(NC(C)=O)c2)S1
InChIInChI=1S/C15H18N4O3S/c1-9(20)16-13-7-5-6-12(8-13)15(4)19(11(3)22)18-14(23-15)17-10(2)21/h5-8H,1-4H3,(H,16,20)(H,17,18,21)/t15-/m0/s1
InChIKeySTTKTWVYTAESLE-HNNXBMFYSA-N
XLogP1.82
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

K-858
CID 2930014
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
CID 686905
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 7196636
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 7197225
N-[4-acetyl-5-methyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 3745237
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
N-[4-acetyl-5-methyl-5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2883459
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-butylphenyl)acetamide
CID 7196642
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide
CID 135437943
N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135472820
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 7196638

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide (CID 839520) is N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide is CC(=O)NC1=NN(C(C)=O)[C@](C)(c2cccc(NC(C)=O)c2)S1.
What is the InChIKey of N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The InChIKey is STTKTWVYTAESLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(20)16-13-7-5-6-12(8-13)15(4)19(11(3)22)18-14(23-15)17-10(2)21/h5-8H,1-4H3,(H,16,20)(H,17,18,21)/t15-/m0/s1.
What are the key properties of N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 839520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).