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

C14H18N4O2S — CID 2833477

IUPACN-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C14H18N4O2S/c1-9(19)15-14-16-18(10(2)20)13(21-14)11-5-7-12(8-6-11)17(3)4/h5-8,13H,1-4H3,(H,15,16,19)
InChIKeyZCAVBSUKJMQWIU-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.75
Rot. Bonds2

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

N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 2833477) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID2833477
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C14H18N4O2S/c1-9(19)15-14-16-18(10(2)20)13(21-14)11-5-7-12(8-6-11)17(3)4/h5-8,13H,1-4H3,(H,15,16,19)
InChIKeyZCAVBSUKJMQWIU-UHFFFAOYSA-N
XLogP1.75
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
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-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 753421
4-(Dimethylamino)benzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135486018
N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2507514
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2507584
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 2523532
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2524421
2-(2,4-Dioxo-3-propyl-thiazolidin-5-yl)-N-p-tolyl-acetamide
CID 3155762

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 2833477) is N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccc(N(C)C)cc2)S1.
What is the InChIKey of N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is ZCAVBSUKJMQWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9(19)15-14-16-18(10(2)20)13(21-14)11-5-7-12(8-6-11)17(3)4/h5-8,13H,1-4H3,(H,15,16,19).
What are the key properties of N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-[4-(dimethylamino)phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 2833477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).