N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide

C14H18N4OS — CID 122650282

IUPACN-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Nc2c(C)cc(C)c(C)c2C)s1
InChIInChI=1S/C14H18N4OS/c1-7-6-8(2)12(10(4)9(7)3)16-14-18-17-13(20-14)15-11(5)19/h6H,1-5H3,(H,16,18)(H,15,17,19)
InChIKeyWKJIORPJIOTDBN-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.47
Rot. Bonds3

About N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 122650282) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID122650282
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Nc2c(C)cc(C)c(C)c2C)s1
InChIInChI=1S/C14H18N4OS/c1-7-6-8(2)12(10(4)9(7)3)16-14-18-17-13(20-14)15-11(5)19/h6H,1-5H3,(H,16,18)(H,15,17,19)
InChIKeyWKJIORPJIOTDBN-UHFFFAOYSA-N
XLogP3.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459531
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174996359
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-(3-hydrazinyl-2,4,6-trimethylphenyl)acetamide
CID 54220415
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
(5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate
CID 175149605
(2,3,5,6-tetramethylphenyl)carbamic acid
CID 115170617
N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6919150

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide (CID 122650282) is N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Nc2c(C)cc(C)c(C)c2C)s1.
What is the InChIKey of N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WKJIORPJIOTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-7-6-8(2)12(10(4)9(7)3)16-14-18-17-13(20-14)15-11(5)19/h6H,1-5H3,(H,16,18)(H,15,17,19).
What are the key properties of N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 122650282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).