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

C9H7N5OS3 — CID 2626856

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H7N5OS3/c10-3-5-1-2-16-7(5)12-6(15)4-17-9-14-13-8(11)18-9/h1-2H,4H2,(H2,11,13)(H,12,15)
InChIKeyNSTDOTIFZGHDEI-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.78
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 2626856) has the molecular formula C9H7N5OS3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID2626856
Molecular FormulaC9H7N5OS3
Molecular Weight297.39 g/mol
Exact Mass296.98
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H7N5OS3/c10-3-5-1-2-16-7(5)12-6(15)4-17-9-14-13-8(11)18-9/h1-2H,4H2,(H2,11,13)(H,12,15)
InChIKeyNSTDOTIFZGHDEI-UHFFFAOYSA-N
XLogP1.78
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide (CID 2626856) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide is N#Cc1ccsc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is NSTDOTIFZGHDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS3/c10-3-5-1-2-16-7(5)12-6(15)4-17-9-14-13-8(11)18-9/h1-2H,4H2,(H2,11,13)(H,12,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 297.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 2626856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).