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

C12H16N6O3S2 — CID 55862422

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1noc(NC(=O)CSc2nnc(NCC3CCCO3)s2)n1
InChIInChI=1S/C12H16N6O3S2/c1-7-14-10(21-18-7)15-9(19)6-22-12-17-16-11(23-12)13-5-8-3-2-4-20-8/h8H,2-6H2,1H3,(H,13,16)(H,14,15,18,19)
InChIKeyZZMKMJSKIPIYBR-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.55
Rot. Bonds7

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

N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 55862422) has the molecular formula C12H16N6O3S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID55862422
Molecular FormulaC12H16N6O3S2
Molecular Weight356.43 g/mol
Exact Mass356.07
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1noc(NC(=O)CSc2nnc(NCC3CCCO3)s2)n1
InChIInChI=1S/C12H16N6O3S2/c1-7-14-10(21-18-7)15-9(19)6-22-12-17-16-11(23-12)13-5-8-3-2-4-20-8/h8H,2-6H2,1H3,(H,13,16)(H,14,15,18,19)
InChIKeyZZMKMJSKIPIYBR-UHFFFAOYSA-N
XLogP1.55
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51258783
N-(2,3-dihydro-1H-inden-5-yl)-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9292453
N-(2,3-dihydro-1H-inden-5-yl)-2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9292454
2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 51258799
N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 18561189
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 51258771
2-[[2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 40808922
N-(5-chloro-2-fluorophenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46639753
1-(3,4-dimethylphenyl)-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 9478196
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 55863825
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 75863064
N-(2,5-dimethoxyphenyl)-2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27064646

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 55862422) is N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1noc(NC(=O)CSc2nnc(NCC3CCCO3)s2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZZMKMJSKIPIYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S2/c1-7-14-10(21-18-7)15-9(19)6-22-12-17-16-11(23-12)13-5-8-3-2-4-20-8/h8H,2-6H2,1H3,(H,13,16)(H,14,15,18,19).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 55862422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).