6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole

C16H14ClN5O2S2 — CID 52946845

IUPAC6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1cn(C2CCNC2)c2ncccc12)c1c(Cl)nc2sccn12
InChIInChI=1S/C16H14ClN5O2S2/c17-13-15(21-6-7-25-16(21)20-13)26(23,24)12-9-22(10-3-5-18-8-10)14-11(12)2-1-4-19-14/h1-2,4,6-7,9-10,18H,3,5,8H2
InChIKeyXRUJPWVUQYUZHZ-UHFFFAOYSA-N
MW407.91 g/mol
LogP2.77
Rot. Bonds3

About 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole

6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole (PubChem CID 52946845) has the molecular formula C16H14ClN5O2S2 and a molecular weight of 407.91 g/mol. Its IUPAC name is 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
PubChem CID52946845
Molecular FormulaC16H14ClN5O2S2
Molecular Weight407.91 g/mol
Exact Mass407.03
IUPAC Name6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1cn(C2CCNC2)c2ncccc12)c1c(Cl)nc2sccn12
InChIInChI=1S/C16H14ClN5O2S2/c17-13-15(21-6-7-25-16(21)20-13)26(23,24)12-9-22(10-3-5-18-8-10)14-11(12)2-1-4-19-14/h1-2,4,6-7,9-10,18H,3,5,8H2
InChIKeyXRUJPWVUQYUZHZ-UHFFFAOYSA-N
XLogP2.77
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole (CID 52946845) is 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole is O=S(=O)(c1cn(C2CCNC2)c2ncccc12)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The InChIKey is XRUJPWVUQYUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S2/c17-13-15(21-6-7-25-16(21)20-13)26(23,24)12-9-22(10-3-5-18-8-10)14-11(12)2-1-4-19-14/h1-2,4,6-7,9-10,18H,3,5,8H2.
What are the key properties of 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole has a molecular weight of 407.91 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 52946845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).