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

C7H11N3O2S2 — CID 3609076

IUPACN-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCO)s1
InChIInChI=1S/C7H11N3O2S2/c1-5-9-10-7(14-5)13-4-6(12)8-2-3-11/h11H,2-4H2,1H3,(H,8,12)
InChIKeyHYEIELCZNNRCDJ-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.05
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3609076) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID3609076
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC NameN-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCO)s1
InChIInChI=1S/C7H11N3O2S2/c1-5-9-10-7(14-5)13-4-6(12)8-2-3-11/h11H,2-4H2,1H3,(H,8,12)
InChIKeyHYEIELCZNNRCDJ-UHFFFAOYSA-N
XLogP0.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553872
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
N-(2-hydroxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 43510118
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 56736212

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 3609076) is N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCCO)s1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is HYEIELCZNNRCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-5-9-10-7(14-5)13-4-6(12)8-2-3-11/h11H,2-4H2,1H3,(H,8,12).
What are the key properties of N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 233.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3609076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).