2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide

C18H20N6O3S2 — CID 52522282

IUPAC2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1cccc(Nc2nnc(SCC(=O)Nc3nnc([C@H]4CCCO4)o3)s2)c1C
InChIInChI=1S/C18H20N6O3S2/c1-10-5-3-6-12(11(10)2)19-17-23-24-18(29-17)28-9-14(25)20-16-22-21-15(27-16)13-7-4-8-26-13/h3,5-6,13H,4,7-9H2,1-2H3,(H,19,23)(H,20,22,25)/t13-/m1/s1
InChIKeyNUDRWWMOTBSLBY-CYBMUJFWSA-N
MW432.53 g/mol
LogP3.86
Rot. Bonds7

About 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide

2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52522282) has the molecular formula C18H20N6O3S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52522282
Molecular FormulaC18H20N6O3S2
Molecular Weight432.53 g/mol
Exact Mass432.10
IUPAC Name2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1cccc(Nc2nnc(SCC(=O)Nc3nnc([C@H]4CCCO4)o3)s2)c1C
InChIInChI=1S/C18H20N6O3S2/c1-10-5-3-6-12(11(10)2)19-17-23-24-18(29-17)28-9-14(25)20-16-22-21-15(27-16)13-7-4-8-26-13/h3,5-6,13H,4,7-9H2,1-2H3,(H,19,23)(H,20,22,25)/t13-/m1/s1
InChIKeyNUDRWWMOTBSLBY-CYBMUJFWSA-N
XLogP3.86
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2124128
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 2128697
N-[2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 8857343
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-ynylacetamide
CID 9483807
N-(4-tert-butylphenyl)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23987103
N-(2-chloro-3-pyridinyl)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5026417
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2583699
N-cyclopropyl-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 39529164
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2455917
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 2699822
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentylacetamide
CID 9483825
N-(tert-butylcarbamoyl)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2652371

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide (CID 52522282) is 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide is Cc1cccc(Nc2nnc(SCC(=O)Nc3nnc([C@H]4CCCO4)o3)s2)c1C.
What is the InChIKey of 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is NUDRWWMOTBSLBY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6O3S2/c1-10-5-3-6-12(11(10)2)19-17-23-24-18(29-17)28-9-14(25)20-16-22-21-15(27-16)13-7-4-8-26-13/h3,5-6,13H,4,7-9H2,1-2H3,(H,19,23)(H,20,22,25)/t13-/m1/s1.
What are the key properties of 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide?
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 432.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52522282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).