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

C12H19N5O2S2 — CID 62156779

IUPAC6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C12H19N5O2S2/c13-10-11(17-8-9-20-12(17)15-10)21(18,19)14-4-7-16-5-2-1-3-6-16/h8-9,14H,1-7,13H2
InChIKeyHNDQSWXXRBLRHQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.74
Rot. Bonds5

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

6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62156779) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62156779
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C12H19N5O2S2/c13-10-11(17-8-9-20-12(17)15-10)21(18,19)14-4-7-16-5-2-1-3-6-16/h8-9,14H,1-7,13H2
InChIKeyHNDQSWXXRBLRHQ-UHFFFAOYSA-N
XLogP0.74
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62156779) is 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCCN1CCCCC1.
What is the InChIKey of 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HNDQSWXXRBLRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c13-10-11(17-8-9-20-12(17)15-10)21(18,19)14-4-7-16-5-2-1-3-6-16/h8-9,14H,1-7,13H2.
What are the key properties of 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62156779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).