1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol

C10H12ClN3O4S2 — CID 142309567

IUPAC1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCC(O)(CO)C1
InChIInChI=1S/C10H12ClN3O4S2/c11-7-8(14-3-4-19-9(14)12-7)20(17,18)13-2-1-10(16,5-13)6-15/h3-4,15-16H,1-2,5-6H2
InChIKeyPIQBTHHMNLERHV-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.17
Rot. Bonds3

About 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol

1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 142309567) has the molecular formula C10H12ClN3O4S2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID142309567
Molecular FormulaC10H12ClN3O4S2
Molecular Weight337.81 g/mol
Exact Mass337.00
IUPAC Name1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCC(O)(CO)C1
InChIInChI=1S/C10H12ClN3O4S2/c11-7-8(14-3-4-19-9(14)12-7)20(17,18)13-2-1-10(16,5-13)6-15/h3-4,15-16H,1-2,5-6H2
InChIKeyPIQBTHHMNLERHV-UHFFFAOYSA-N
XLogP0.17
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol (CID 142309567) is 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol is O=S(=O)(c1c(Cl)nc2sccn12)N1CCC(O)(CO)C1.
What is the InChIKey of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is PIQBTHHMNLERHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S2/c11-7-8(14-3-4-19-9(14)12-7)20(17,18)13-2-1-10(16,5-13)6-15/h3-4,15-16H,1-2,5-6H2.
What are the key properties of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol?
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 337.81 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 142309567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).