6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H13N5O2S2 — CID 62146412

IUPAC6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1c(N)nc2sccn12)c1ccccn1
InChIInChI=1S/C12H13N5O2S2/c1-8(9-4-2-3-5-14-9)16-21(18,19)11-10(13)15-12-17(11)6-7-20-12/h2-8,16H,13H2,1H3
InChIKeyNQQAXFYUWQFJSA-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.41
Rot. Bonds4

About 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146412) has the molecular formula C12H13N5O2S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146412
Molecular FormulaC12H13N5O2S2
Molecular Weight323.40 g/mol
Exact Mass323.05
IUPAC Name6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1c(N)nc2sccn12)c1ccccn1
InChIInChI=1S/C12H13N5O2S2/c1-8(9-4-2-3-5-14-9)16-21(18,19)11-10(13)15-12-17(11)6-7-20-12/h2-8,16H,13H2,1H3
InChIKeyNQQAXFYUWQFJSA-UHFFFAOYSA-N
XLogP1.41
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146412) is 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC(NS(=O)(=O)c1c(N)nc2sccn12)c1ccccn1.
What is the InChIKey of 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is NQQAXFYUWQFJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S2/c1-8(9-4-2-3-5-14-9)16-21(18,19)11-10(13)15-12-17(11)6-7-20-12/h2-8,16H,13H2,1H3.
What are the key properties of 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).