2-(1,3-thiazol-2-ylsulfonyl)propanamide

C6H8N2O3S2 — CID 47418104

IUPAC2-(1,3-thiazol-2-ylsulfonyl)propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1nccs1
InChIInChI=1S/C6H8N2O3S2/c1-4(5(7)9)13(10,11)6-8-2-3-12-6/h2-4H,1H3,(H2,7,9)
InChIKeyCASQSVYUARHUJM-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.21
Rot. Bonds3

About 2-(1,3-thiazol-2-ylsulfonyl)propanamide

2-(1,3-thiazol-2-ylsulfonyl)propanamide (PubChem CID 47418104) has the molecular formula C6H8N2O3S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfonyl)propanamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylsulfonyl)propanamide
PubChem CID47418104
Molecular FormulaC6H8N2O3S2
Molecular Weight220.27 g/mol
Exact Mass220.00
IUPAC Name2-(1,3-thiazol-2-ylsulfonyl)propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1nccs1
InChIInChI=1S/C6H8N2O3S2/c1-4(5(7)9)13(10,11)6-8-2-3-12-6/h2-4H,1H3,(H2,7,9)
InChIKeyCASQSVYUARHUJM-UHFFFAOYSA-N
XLogP-0.21
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylsulfonyl)propanamide?
The IUPAC name of 2-(1,3-thiazol-2-ylsulfonyl)propanamide (CID 47418104) is 2-(1,3-thiazol-2-ylsulfonyl)propanamide.
What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfonyl)propanamide?
The canonical SMILES for 2-(1,3-thiazol-2-ylsulfonyl)propanamide is CC(C(N)=O)S(=O)(=O)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylsulfonyl)propanamide?
The InChIKey is CASQSVYUARHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S2/c1-4(5(7)9)13(10,11)6-8-2-3-12-6/h2-4H,1H3,(H2,7,9).
What are the key properties of 2-(1,3-thiazol-2-ylsulfonyl)propanamide?
2-(1,3-thiazol-2-ylsulfonyl)propanamide has a molecular weight of 220.27 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylsulfonyl)propanamide is sourced from PubChem (CID 47418104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).