N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide

C9H8N2OS3 — CID 678413

IUPACN-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1nccs1
InChIInChI=1S/C9H8N2OS3/c12-7(11-9-10-3-5-14-9)6-15-8-2-1-4-13-8/h1-5H,6H2,(H,10,11,12)
InChIKeyURIQMMLVJWQRIR-UHFFFAOYSA-N
MW256.38 g/mol
LogP2.94
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide

N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 678413) has the molecular formula C9H8N2OS3 and a molecular weight of 256.38 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID678413
Molecular FormulaC9H8N2OS3
Molecular Weight256.38 g/mol
Exact Mass255.98
IUPAC NameN-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1nccs1
InChIInChI=1S/C9H8N2OS3/c12-7(11-9-10-3-5-14-9)6-15-8-2-1-4-13-8/h1-5H,6H2,(H,10,11,12)
InChIKeyURIQMMLVJWQRIR-UHFFFAOYSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide (CID 678413) is N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is URIQMMLVJWQRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS3/c12-7(11-9-10-3-5-14-9)6-15-8-2-1-4-13-8/h1-5H,6H2,(H,10,11,12).
What are the key properties of N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide?
N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 256.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 678413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).