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

C11H17N5O2S2 — CID 62640219

IUPAC6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C11H17N5O2S2/c12-9-10(16-7-8-19-11(16)14-9)20(17,18)13-3-6-15-4-1-2-5-15/h7-8,13H,1-6,12H2
InChIKeyVWILMOICHKGBRY-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.35
Rot. Bonds5

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

6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62640219) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62640219
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C11H17N5O2S2/c12-9-10(16-7-8-19-11(16)14-9)20(17,18)13-3-6-15-4-1-2-5-15/h7-8,13H,1-6,12H2
InChIKeyVWILMOICHKGBRY-UHFFFAOYSA-N
XLogP0.35
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62156779
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CID 63227518
6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106049807
5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62143175
6-amino-N-(2-ethoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114944062
6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64524170
6-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106376743
6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62163150
6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149971
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanamide
CID 62152600
2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]propanamide
CID 62146624

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62640219) is 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCCN1CCCC1.
What is the InChIKey of 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is VWILMOICHKGBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c12-9-10(16-7-8-19-11(16)14-9)20(17,18)13-3-6-15-4-1-2-5-15/h7-8,13H,1-6,12H2.
What are the key properties of 6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.35, 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-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62640219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).