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

C12H13N3OS2 — CID 844121

IUPACN-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(C)s2)c1
InChIInChI=1S/C12H13N3OS2/c1-8-4-3-5-10(6-8)13-11(16)7-17-12-15-14-9(2)18-12/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyVWUNHBWFLUQBHD-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.89
Rot. Bonds4

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

N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 844121) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID844121
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(C)s2)c1
InChIInChI=1S/C12H13N3OS2/c1-8-4-3-5-10(6-8)13-11(16)7-17-12-15-14-9(2)18-12/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyVWUNHBWFLUQBHD-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 6462806
N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 670655
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 4215186
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methylphenyl)acetamide
CID 685006
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(3-methylphenyl)acetamide
CID 711117
N-(2,4-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 844130
N-(4-methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 852230
1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 892092
2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[3-(methylthio)phenyl]acetamide
CID 971203
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethanone
CID 1167729
1-(3-Methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2916046
2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2505002

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 844121) is N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nnc(C)s2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VWUNHBWFLUQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-8-4-3-5-10(6-8)13-11(16)7-17-12-15-14-9(2)18-12/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 844121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).