(6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate

C8H6N2O2S — CID 118346731

IUPAC(6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate
SMILESCc1cc2nc(OC=O)sc2cn1
InChIInChI=1S/C8H6N2O2S/c1-5-2-6-7(3-9-5)13-8(10-6)12-4-11/h2-4H,1H3
InChIKeyLKJRRRHYFHXUON-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.53
Rot. Bonds2

About (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate

(6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate (PubChem CID 118346731) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate.

Molecular Properties

Compound Name(6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate
PubChem CID118346731
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name(6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate
SMILESCc1cc2nc(OC=O)sc2cn1
InChIInChI=1S/C8H6N2O2S/c1-5-2-6-7(3-9-5)13-8(10-6)12-4-11/h2-4H,1H3
InChIKeyLKJRRRHYFHXUON-UHFFFAOYSA-N
XLogP1.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-Pyridylthio)benzothiazole
CID 109015
Ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate
CID 2727532
2-Methylthiazolo[5,4-c]pyridine
CID 640720
Methyl 2-{[1,3]thiazolo[4,5-c]pyridin-2-yl}acetate
CID 79475050
2-(Pyridin-2-ylmethyl)-1,3-benzothiazole
CID 2322343
2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole
CID 6212428
2-Ethylthiazolo[5,4-c]pyridine
CID 11286657
Thiazolo[5,4-c]pyridine
CID 14666228
2-Propyl-[1,3]thiazolo[5,4-c]pyridine
CID 144022646
2-(3,4,4-Trifluorobut-3-enylsulfanyl)-[1,3]thiazolo[5,4-c]pyridine
CID 21956036
[1,3]Thiazolo[5,4-c]pyridin-2-yl 2,2,2-trifluoroacetate
CID 140379439
2-Methylsulfanyl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-c]pyridine
CID 142339798

Frequently Asked Questions

What is the IUPAC name of (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate?
The IUPAC name of (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate (CID 118346731) is (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate.
What is the SMILES notation for (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate?
The canonical SMILES for (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate is Cc1cc2nc(OC=O)sc2cn1.
What is the InChIKey of (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate?
The InChIKey is LKJRRRHYFHXUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-5-2-6-7(3-9-5)13-8(10-6)12-4-11/h2-4H,1H3.
What are the key properties of (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate?
(6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate has a molecular weight of 194.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-[1,3]thiazolo[5,4-c]pyridin-2-yl) formate is sourced from PubChem (CID 118346731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).