2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide

C15H17N3O2S2 — CID 17442157

IUPAC2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)C(C)Sc2nncs2)cc1
InChIInChI=1S/C15H17N3O2S2/c1-9(2)14(20)17-12-6-4-11(5-7-12)13(19)10(3)22-15-18-16-8-21-15/h4-10H,1-3H3,(H,17,20)
InChIKeyBSIQEDWWVMJTOT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.50
Rot. Bonds6

About 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide

2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide (PubChem CID 17442157) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
PubChem CID17442157
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)C(C)Sc2nncs2)cc1
InChIInChI=1S/C15H17N3O2S2/c1-9(2)14(20)17-12-6-4-11(5-7-12)13(19)10(3)22-15-18-16-8-21-15/h4-10H,1-3H3,(H,17,20)
InChIKeyBSIQEDWWVMJTOT-UHFFFAOYSA-N
XLogP3.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]-2-methylpropanamide
CID 9457650
(2S)-1-(4-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 51682190
(2R)-1-(4-ethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 8934282
N-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]phenyl]-2-methylpropanamide
CID 51236859
1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 43413967
(2S)-N-(4-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 7990405
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 41095867
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935752
N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
CID 78765240
(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 51957022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide (CID 17442157) is 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(C(=O)C(C)Sc2nncs2)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide?
The InChIKey is BSIQEDWWVMJTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-9(2)14(20)17-12-6-4-11(5-7-12)13(19)10(3)22-15-18-16-8-21-15/h4-10H,1-3H3,(H,17,20).
What are the key properties of 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide?
2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide is sourced from PubChem (CID 17442157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).