(2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide

C12H20N4O2S3 — CID 9267552

IUPAC(2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide
SMILESCCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)NC)s1
InChIInChI=1S/C12H20N4O2S3/c1-5-16(6-2)9(17)7-19-11-14-15-12(21-11)20-8(3)10(18)13-4/h8H,5-7H2,1-4H3,(H,13,18)/t8-/m0/s1
InChIKeyBCFSYVLFJJGBPI-QMMMGPOBSA-N
MW348.52 g/mol
LogP1.73
Rot. Bonds8

About (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide

(2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide (PubChem CID 9267552) has the molecular formula C12H20N4O2S3 and a molecular weight of 348.52 g/mol. Its IUPAC name is (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide
PubChem CID9267552
Molecular FormulaC12H20N4O2S3
Molecular Weight348.52 g/mol
Exact Mass348.07
IUPAC Name(2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide
SMILESCCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)NC)s1
InChIInChI=1S/C12H20N4O2S3/c1-5-16(6-2)9(17)7-19-11-14-15-12(21-11)20-8(3)10(18)13-4/h8H,5-7H2,1-4H3,(H,13,18)/t8-/m0/s1
InChIKeyBCFSYVLFJJGBPI-QMMMGPOBSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide with MolForge

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Related Compounds

(2R)-N-methyl-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9376573
2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24505566
(2S)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylpropanamide
CID 9376626
2-[[2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24505569
N,N-diethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115255
N-cyclopentyl-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883408
(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 7883538
(2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
CID 9376594
N-(1-cyanocyclopentyl)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883412
N-ethyl-N-(2-methylprop-2-enyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516203
(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 7883460
2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42885782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide (CID 9267552) is (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide is CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)NC)s1.
What is the InChIKey of (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide?
The InChIKey is BCFSYVLFJJGBPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N4O2S3/c1-5-16(6-2)9(17)7-19-11-14-15-12(21-11)20-8(3)10(18)13-4/h8H,5-7H2,1-4H3,(H,13,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide?
(2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide has a molecular weight of 348.52 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide is sourced from PubChem (CID 9267552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).