N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C16H16N4OS2 — CID 17449852

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1nnc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)s1
InChIInChI=1S/C16H16N4OS2/c1-3-14-19-20-16(23-14)18-13(21)8-12-9-22-15(17-12)11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,18,20,21)
InChIKeyRMZRNOAUOZXRIF-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.71
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 17449852) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID17449852
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1nnc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)s1
InChIInChI=1S/C16H16N4OS2/c1-3-14-19-20-16(23-14)18-13(21)8-12-9-22-15(17-12)11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,18,20,21)
InChIKeyRMZRNOAUOZXRIF-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16564281
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 17449852) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCc1nnc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RMZRNOAUOZXRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-3-14-19-20-16(23-14)18-13(21)8-12-9-22-15(17-12)11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 17449852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).