N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C12H13N3OS3 — CID 51141818

IUPACN-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Sc1nncs1
InChIInChI=1S/C12H13N3OS3/c1-8(19-12-15-13-7-18-12)11(16)14-9-5-3-4-6-10(9)17-2/h3-8H,1-2H3,(H,14,16)
InChIKeyBYVQDEIBYKNCRE-UHFFFAOYSA-N
MW311.46 g/mol
LogP3.38
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 51141818) has the molecular formula C12H13N3OS3 and a molecular weight of 311.46 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID51141818
Molecular FormulaC12H13N3OS3
Molecular Weight311.46 g/mol
Exact Mass311.02
IUPAC NameN-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Sc1nncs1
InChIInChI=1S/C12H13N3OS3/c1-8(19-12-15-13-7-18-12)11(16)14-9-5-3-4-6-10(9)17-2/h3-8H,1-2H3,(H,14,16)
InChIKeyBYVQDEIBYKNCRE-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935846
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
N-(5-chloro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622670
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94627097
(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51729034
(2R)-N-(2-chloro-5-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532130
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 51141818) is N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CSc1ccccc1NC(=O)C(C)Sc1nncs1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is BYVQDEIBYKNCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS3/c1-8(19-12-15-13-7-18-12)11(16)14-9-5-3-4-6-10(9)17-2/h3-8H,1-2H3,(H,14,16).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 311.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 51141818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).