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

C13H16N4O2S3 — CID 47077042

IUPAC2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(N2CCOCC2)s1)NCc1cccs1
InChIInChI=1S/C13H16N4O2S3/c18-11(14-8-10-2-1-7-20-10)9-21-13-16-15-12(22-13)17-3-5-19-6-4-17/h1-2,7H,3-6,8-9H2,(H,14,18)
InChIKeyUNGGAERNIVOLAK-UHFFFAOYSA-N
MW356.50 g/mol
LogP1.84
Rot. Bonds6

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

2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 47077042) has the molecular formula C13H16N4O2S3 and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID47077042
Molecular FormulaC13H16N4O2S3
Molecular Weight356.50 g/mol
Exact Mass356.04
IUPAC Name2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(N2CCOCC2)s1)NCc1cccs1
InChIInChI=1S/C13H16N4O2S3/c18-11(14-8-10-2-1-7-20-10)9-21-13-16-15-12(22-13)17-3-5-19-6-4-17/h1-2,7H,3-6,8-9H2,(H,14,18)
InChIKeyUNGGAERNIVOLAK-UHFFFAOYSA-N
XLogP1.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 47077042) is 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nnc(N2CCOCC2)s1)NCc1cccs1.
What is the InChIKey of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UNGGAERNIVOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S3/c18-11(14-8-10-2-1-7-20-10)9-21-13-16-15-12(22-13)17-3-5-19-6-4-17/h1-2,7H,3-6,8-9H2,(H,14,18).
What are the key properties of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 356.50 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 47077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).