N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C10H13ClN4O2S2 — CID 56861632

IUPACN-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESN[C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C10H13ClN4O2S2/c11-8-9(15-3-4-18-10(15)13-8)19(16,17)14-7-2-1-6(12)5-7/h3-4,6-7,14H,1-2,5,12H2/t6-,7-/m1/s1
InChIKeySKDYQBBELJRZAR-RNFRBKRXSA-N
MW320.83 g/mol
LogP1.21
Rot. Bonds3

About N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 56861632) has the molecular formula C10H13ClN4O2S2 and a molecular weight of 320.83 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID56861632
Molecular FormulaC10H13ClN4O2S2
Molecular Weight320.83 g/mol
Exact Mass320.02
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESN[C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C10H13ClN4O2S2/c11-8-9(15-3-4-18-10(15)13-8)19(16,17)14-7-2-1-6(12)5-7/h3-4,6-7,14H,1-2,5,12H2/t6-,7-/m1/s1
InChIKeySKDYQBBELJRZAR-RNFRBKRXSA-N
XLogP1.21
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 56861632) is N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is N[C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)nc3sccn23)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is SKDYQBBELJRZAR-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H13ClN4O2S2/c11-8-9(15-3-4-18-10(15)13-8)19(16,17)14-7-2-1-6(12)5-7/h3-4,6-7,14H,1-2,5,12H2/t6-,7-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 320.83 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 56861632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).