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

C10H14N4O3S2 — CID 951053

IUPACN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C10H14N4O3S2/c1-7(15)11-9-12-13-10(19-9)18-6-8(16)14-2-4-17-5-3-14/h2-6H2,1H3,(H,11,12,15)
InChIKeyHGBDZVJDLTWSND-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.45
Rot. Bonds4

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

N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 951053) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID951053
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC NameN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C10H14N4O3S2/c1-7(15)11-9-12-13-10(19-9)18-6-8(16)14-2-4-17-5-3-14/h2-6H2,1H3,(H,11,12,15)
InChIKeyHGBDZVJDLTWSND-UHFFFAOYSA-N
XLogP0.45
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (CID 951053) is N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1.
What is the InChIKey of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is HGBDZVJDLTWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-7(15)11-9-12-13-10(19-9)18-6-8(16)14-2-4-17-5-3-14/h2-6H2,1H3,(H,11,12,15).
What are the key properties of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 951053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).