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

C8H13N3O2S2 — CID 4081637

IUPACN-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCCO)s1
InChIInChI=1S/C8H13N3O2S2/c1-6-10-11-8(15-6)14-5-7(13)9-3-2-4-12/h12H,2-5H2,1H3,(H,9,13)
InChIKeyWUHCEDOPWKZGFJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.44
Rot. Bonds6

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

N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4081637) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID4081637
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC NameN-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCCO)s1
InChIInChI=1S/C8H13N3O2S2/c1-6-10-11-8(15-6)14-5-7(13)9-3-2-4-12/h12H,2-5H2,1H3,(H,9,13)
InChIKeyWUHCEDOPWKZGFJ-UHFFFAOYSA-N
XLogP0.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 4081637) is N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCCCO)s1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is WUHCEDOPWKZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-6-10-11-8(15-6)14-5-7(13)9-3-2-4-12/h12H,2-5H2,1H3,(H,9,13).
What are the key properties of N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3-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, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4081637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).