N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C8H13N3O2S2 — CID 40553872

IUPACN-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC[C@H](C)O)s1
InChIInChI=1S/C8H13N3O2S2/c1-5(12)3-9-7(13)4-14-8-11-10-6(2)15-8/h5,12H,3-4H2,1-2H3,(H,9,13)/t5-/m0/s1
InChIKeyGHXHJLIHSBEEHF-YFKPBYRVSA-N
MW247.34 g/mol
LogP0.44
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 40553872) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID40553872
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC[C@H](C)O)s1
InChIInChI=1S/C8H13N3O2S2/c1-5(12)3-9-7(13)4-14-8-11-10-6(2)15-8/h5,12H,3-4H2,1-2H3,(H,9,13)/t5-/m0/s1
InChIKeyGHXHJLIHSBEEHF-YFKPBYRVSA-N
XLogP0.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 2141536
N-(2-hydroxyethyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 3609076
N-(3-hydroxypropyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 4081637
N-(2-hydroxypropyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 4081812
N-(2-hydroxy-isopropyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 4668021
N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7474296
N-(3-methoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 8300894
N-(1-methoxypropan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18076362
N-[(2R)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553871
N-[(2S)-1-hydroxypropan-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553873
N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553874
1-(Methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876762

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 40553872) is N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC[C@H](C)O)s1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GHXHJLIHSBEEHF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-5(12)3-9-7(13)4-14-8-11-10-6(2)15-8/h5,12H,3-4H2,1-2H3,(H,9,13)/t5-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 40553872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).