N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C13H20N4O2S2 — CID 62146518

IUPACN-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C13H20N4O2S2/c1-14-11-12(17-8-9-20-13(17)16-11)21(18,19)15-7-6-10-4-2-3-5-10/h8-10,14-15H,2-7H2,1H3
InChIKeyVICZOTRBKNXBFU-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.30
Rot. Bonds6

About N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146518) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146518
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C13H20N4O2S2/c1-14-11-12(17-8-9-20-13(17)16-11)21(18,19)15-7-6-10-4-2-3-5-10/h8-10,14-15H,2-7H2,1H3
InChIKeyVICZOTRBKNXBFU-UHFFFAOYSA-N
XLogP2.30
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146518) is N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is VICZOTRBKNXBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-14-11-12(17-8-9-20-13(17)16-11)21(18,19)15-7-6-10-4-2-3-5-10/h8-10,14-15H,2-7H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).