4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C14H10ClN3O3S — CID 71704615

IUPAC4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)C(c1c(Cl)nc3sccn13)CC(=O)O2
InChIInChI=1S/C14H10ClN3O3S/c1-6-4-8-10(13(20)16-6)7(5-9(19)21-8)11-12(15)17-14-18(11)2-3-22-14/h2-4,7H,5H2,1H3,(H,16,20)
InChIKeyCRCNWEUNXWYQAL-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.49
Rot. Bonds1

About 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71704615) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71704615
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)C(c1c(Cl)nc3sccn13)CC(=O)O2
InChIInChI=1S/C14H10ClN3O3S/c1-6-4-8-10(13(20)16-6)7(5-9(19)21-8)11-12(15)17-14-18(11)2-3-22-14/h2-4,7H,5H2,1H3,(H,16,20)
InChIKeyCRCNWEUNXWYQAL-UHFFFAOYSA-N
XLogP2.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71704615) is 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)C(c1c(Cl)nc3sccn13)CC(=O)O2.
What is the InChIKey of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is CRCNWEUNXWYQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c1-6-4-8-10(13(20)16-6)7(5-9(19)21-8)11-12(15)17-14-18(11)2-3-22-14/h2-4,7H,5H2,1H3,(H,16,20).
What are the key properties of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 335.77 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71704615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).