5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

C11H12ClN3O3S2 — CID 61044817

IUPAC5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(C2CCCN2S(=O)(=O)c2cnc(Cl)s2)on1
InChIInChI=1S/C11H12ClN3O3S2/c1-7-5-9(18-14-7)8-3-2-4-15(8)20(16,17)10-6-13-11(12)19-10/h5-6,8H,2-4H2,1H3
InChIKeyZCKXIDIANAYWRN-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.62
Rot. Bonds3

About 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 61044817) has the molecular formula C11H12ClN3O3S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID61044817
Molecular FormulaC11H12ClN3O3S2
Molecular Weight333.82 g/mol
Exact Mass333.00
IUPAC Name5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(C2CCCN2S(=O)(=O)c2cnc(Cl)s2)on1
InChIInChI=1S/C11H12ClN3O3S2/c1-7-5-9(18-14-7)8-3-2-4-15(8)20(16,17)10-6-13-11(12)19-10/h5-6,8H,2-4H2,1H3
InChIKeyZCKXIDIANAYWRN-UHFFFAOYSA-N
XLogP2.62
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 61044817) is 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is Cc1cc(C2CCCN2S(=O)(=O)c2cnc(Cl)s2)on1.
What is the InChIKey of 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is ZCKXIDIANAYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S2/c1-7-5-9(18-14-7)8-3-2-4-15(8)20(16,17)10-6-13-11(12)19-10/h5-6,8H,2-4H2,1H3.
What are the key properties of 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 333.82 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 61044817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).