2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C13H14N4O2S2 — CID 18912290

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C13H14N4O2S2/c1-8(18)14-10-4-3-5-11(6-10)20-7-12(19)15-13-17-16-9(2)21-13/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyKNFXOBAIJWTEEY-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.54
Rot. Bonds5

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

2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 18912290) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID18912290
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C13H14N4O2S2/c1-8(18)14-10-4-3-5-11(6-10)20-7-12(19)15-13-17-16-9(2)21-13/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyKNFXOBAIJWTEEY-UHFFFAOYSA-N
XLogP2.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18894676
6-[[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 18898646
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-[(E)-1-(2,4-dichlorophenyl)-3-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19319398
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
N-[(E)-1-(2,4-dimethoxyphenyl)-3-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19319614
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-[5-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 40833665
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 65209214
3-methyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3290505
N-[5-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide
CID 42448183
4-methyl-N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19298977

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 18912290) is 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1cccc(SCC(=O)Nc2nnc(C)s2)c1.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KNFXOBAIJWTEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-8(18)14-10-4-3-5-11(6-10)20-7-12(19)15-13-17-16-9(2)21-13/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 322.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 18912290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).