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

C13H15N3O2S — CID 686905

IUPACN-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccccc2)S1
InChIInChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1
InChIKeyJEFVYQYZCAVNTP-ZDUSSCGKSA-N
MW277.35 g/mol
LogP1.86
Rot. Bonds1

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

N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 686905) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID686905
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccccc2)S1
InChIInChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1
InChIKeyJEFVYQYZCAVNTP-ZDUSSCGKSA-N
XLogP1.86
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide (CID 686905) is N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccccc2)S1.
What is the InChIKey of N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JEFVYQYZCAVNTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1.
What are the key properties of N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 686905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).