7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione

C16H14N4O2S — CID 118278356

IUPAC7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione
SMILESCCc1c(-c2ccc3c(cnn3C)c2)[nH]c(=O)c2c(=O)[nH]sc12
InChIInChI=1S/C16H14N4O2S/c1-3-10-13(18-15(21)12-14(10)23-19-16(12)22)8-4-5-11-9(6-8)7-17-20(11)2/h4-7H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRGKBYSKLWISOQJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.39
Rot. Bonds2

About 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione

7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione (PubChem CID 118278356) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione.

Molecular Properties

Compound Name7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione
PubChem CID118278356
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione
SMILESCCc1c(-c2ccc3c(cnn3C)c2)[nH]c(=O)c2c(=O)[nH]sc12
InChIInChI=1S/C16H14N4O2S/c1-3-10-13(18-15(21)12-14(10)23-19-16(12)22)8-4-5-11-9(6-8)7-17-20(11)2/h4-7H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRGKBYSKLWISOQJ-UHFFFAOYSA-N
XLogP2.39
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione?
The IUPAC name of 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione (CID 118278356) is 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione.
What is the SMILES notation for 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione?
The canonical SMILES for 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione is CCc1c(-c2ccc3c(cnn3C)c2)[nH]c(=O)c2c(=O)[nH]sc12.
What is the InChIKey of 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione?
The InChIKey is RGKBYSKLWISOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-3-10-13(18-15(21)12-14(10)23-19-16(12)22)8-4-5-11-9(6-8)7-17-20(11)2/h4-7H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione?
7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione has a molecular weight of 326.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione is sourced from PubChem (CID 118278356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).