N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C16H16N4OS2 — CID 38928151

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2nnc(-c3ccccc3)s2)cs1
InChIInChI=1S/C16H16N4OS2/c1-10(2)14-17-12(9-22-14)8-13(21)18-16-20-19-15(23-16)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,20,21)
InChIKeyIYSKFTNUKKUEFJ-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.97
Rot. Bonds5

About N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 38928151) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID38928151
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2nnc(-c3ccccc3)s2)cs1
InChIInChI=1S/C16H16N4OS2/c1-10(2)14-17-12(9-22-14)8-13(21)18-16-20-19-15(23-16)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,20,21)
InChIKeyIYSKFTNUKKUEFJ-UHFFFAOYSA-N
XLogP3.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38900998
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
N-(1,1-diphenylethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 56522612
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155912188
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-(5-methyl-2-pyridinyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 39718552
3,5,5-trimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)hexanamide
CID 134157729

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 38928151) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)Nc2nnc(-c3ccccc3)s2)cs1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IYSKFTNUKKUEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10(2)14-17-12(9-22-14)8-13(21)18-16-20-19-15(23-16)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 38928151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).