thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C13H14N2O2S — CID 166262248

IUPACthietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OCC3CSC3)nc2c1
InChIInChI=1S/C13H14N2O2S/c1-9-2-3-15-5-11(14-12(15)4-9)13(16)17-6-10-7-18-8-10/h2-5,10H,6-8H2,1H3
InChIKeyNQDYPEONWWMMPR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.16
Rot. Bonds3

About thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate

thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 166262248) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namethietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID166262248
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namethietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OCC3CSC3)nc2c1
InChIInChI=1S/C13H14N2O2S/c1-9-2-3-15-5-11(14-12(15)4-9)13(16)17-6-10-7-18-8-10/h2-5,10H,6-8H2,1H3
InChIKeyNQDYPEONWWMMPR-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 743829
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CID 717824
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CID 821015
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CID 860187
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CID 11736475
CID 11736475
CID 10567382
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CID 718831
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CID 2764795
CID 2764795
CID 682232
CID 682232
CID 89055
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CID 12558381
CID 12558381
CID 11084975
CID 11084975

Frequently Asked Questions

What is the IUPAC name of thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 166262248) is thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1ccn2cc(C(=O)OCC3CSC3)nc2c1.
What is the InChIKey of thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is NQDYPEONWWMMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-2-3-15-5-11(14-12(15)4-9)13(16)17-6-10-7-18-8-10/h2-5,10H,6-8H2,1H3.
What are the key properties of thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 166262248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).