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

C10H13N5O3S2 — CID 63662684

IUPAC6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C10H13N5O3S2/c11-8-9(15-3-4-19-10(15)13-8)20(17,18)14-6-1-2-7(16)12-5-6/h3-4,6,14H,1-2,5,11H2,(H,12,16)
InChIKeyKUDLGUHIENLRSO-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.47
Rot. Bonds3

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

6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63662684) has the molecular formula C10H13N5O3S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63662684
Molecular FormulaC10H13N5O3S2
Molecular Weight315.38 g/mol
Exact Mass315.05
IUPAC Name6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C10H13N5O3S2/c11-8-9(15-3-4-19-10(15)13-8)20(17,18)14-6-1-2-7(16)12-5-6/h3-4,6,14H,1-2,5,11H2,(H,12,16)
InChIKeyKUDLGUHIENLRSO-UHFFFAOYSA-N
XLogP-0.47
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63662684) is 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NC1CCC(=O)NC1.
What is the InChIKey of 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is KUDLGUHIENLRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S2/c11-8-9(15-3-4-19-10(15)13-8)20(17,18)14-6-1-2-7(16)12-5-6/h3-4,6,14H,1-2,5,11H2,(H,12,16).
What are the key properties of 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 315.38 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63662684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).