2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole

C7H9ClN2O2S2 — CID 43427513

IUPAC2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCC1
InChIInChI=1S/C7H9ClN2O2S2/c8-7-9-5-6(13-7)14(11,12)10-3-1-2-4-10/h5H,1-4H2
InChIKeyIMMJLYZUAZDEQL-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.58
Rot. Bonds2

About 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole

2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole (PubChem CID 43427513) has the molecular formula C7H9ClN2O2S2 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
PubChem CID43427513
Molecular FormulaC7H9ClN2O2S2
Molecular Weight252.75 g/mol
Exact Mass251.98
IUPAC Name2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCC1
InChIInChI=1S/C7H9ClN2O2S2/c8-7-9-5-6(13-7)14(11,12)10-3-1-2-4-10/h5H,1-4H2
InChIKeyIMMJLYZUAZDEQL-UHFFFAOYSA-N
XLogP1.58
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61044861
CID 61044861
CID 61045588
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CID 61045719
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CID 61045951
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CID 61046507
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CID 65537575
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CID 115517962
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CID 43455771
CID 43455771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole (CID 43427513) is 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole is O=S(=O)(c1cnc(Cl)s1)N1CCCC1.
What is the InChIKey of 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
The InChIKey is IMMJLYZUAZDEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S2/c8-7-9-5-6(13-7)14(11,12)10-3-1-2-4-10/h5H,1-4H2.
What are the key properties of 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole has a molecular weight of 252.75 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 43427513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).