methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C12H16N2O2S — CID 146437537

IUPACmethyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)N1C=Cc2nc(C(C)(C)C)sc2C1
InChIInChI=1S/C12H16N2O2S/c1-12(2,3)10-13-8-5-6-14(11(15)16-4)7-9(8)17-10/h5-6H,7H2,1-4H3
InChIKeySUGLTWUDMNFIGB-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.99
Rot. Bonds

About methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 146437537) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID146437537
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Namemethyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)N1C=Cc2nc(C(C)(C)C)sc2C1
InChIInChI=1S/C12H16N2O2S/c1-12(2,3)10-13-8-5-6-14(11(15)16-4)7-9(8)17-10/h5-6H,7H2,1-4H3
InChIKeySUGLTWUDMNFIGB-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 146437537) is methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is COC(=O)N1C=Cc2nc(C(C)(C)C)sc2C1.
What is the InChIKey of methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is SUGLTWUDMNFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-12(2,3)10-13-8-5-6-14(11(15)16-4)7-9(8)17-10/h5-6H,7H2,1-4H3.
What are the key properties of methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 252.34 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 146437537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).