3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one

C18H17N5O2S — CID 71731650

IUPAC3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
SMILESCc1cn2cc(-c3cc4cnc(N5CCNCC5)cc4oc3=O)nc2s1
InChIInChI=1S/C18H17N5O2S/c1-11-9-23-10-14(21-18(23)26-11)13-6-12-8-20-16(7-15(12)25-17(13)24)22-4-2-19-3-5-22/h6-10,19H,2-5H2,1H3
InChIKeyYPWUQKZEUMJXSK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.28
Rot. Bonds2

About 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one

3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one (PubChem CID 71731650) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
PubChem CID71731650
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
SMILESCc1cn2cc(-c3cc4cnc(N5CCNCC5)cc4oc3=O)nc2s1
InChIInChI=1S/C18H17N5O2S/c1-11-9-23-10-14(21-18(23)26-11)13-6-12-8-20-16(7-15(12)25-17(13)24)22-4-2-19-3-5-22/h6-10,19H,2-5H2,1H3
InChIKeyYPWUQKZEUMJXSK-UHFFFAOYSA-N
XLogP2.28
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
The IUPAC name of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one (CID 71731650) is 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one.
What is the SMILES notation for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
The canonical SMILES for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one is Cc1cn2cc(-c3cc4cnc(N5CCNCC5)cc4oc3=O)nc2s1.
What is the InChIKey of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
The InChIKey is YPWUQKZEUMJXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-11-9-23-10-14(21-18(23)26-11)13-6-12-8-20-16(7-15(12)25-17(13)24)22-4-2-19-3-5-22/h6-10,19H,2-5H2,1H3.
What are the key properties of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one has a molecular weight of 367.43 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one is sourced from PubChem (CID 71731650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).