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

C11H12N2O2S — CID 133059343

IUPACtert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc2cnccc2s1
InChIInChI=1S/C11H12N2O2S/c1-11(2,3)15-10(14)9-13-7-6-12-5-4-8(7)16-9/h4-6H,1-3H3
InChIKeyMJAVVNWMPIFKSX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.65
Rot. Bonds1

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

tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate (PubChem CID 133059343) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
PubChem CID133059343
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Nametert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc2cnccc2s1
InChIInChI=1S/C11H12N2O2S/c1-11(2,3)15-10(14)9-13-7-6-12-5-4-8(7)16-9/h4-6H,1-3H3
InChIKeyMJAVVNWMPIFKSX-UHFFFAOYSA-N
XLogP2.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
CID 15593546
tert-butyl 1,6-naphthyridine-2-carboxylate
CID 156739271
tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate
CID 152581473
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
tert-butyl N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamate
CID 175811081
tert-butyl (5R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 145201751
[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 14252938
tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate
CID 174671899
[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 141094419
(4-tert-butylphenyl) 1,3-benzothiazole-2-carboxylate
CID 126196930
ditert-butyl 4-pyridin-4-ylpyridine-2,6-dicarboxylate
CID 130276187

Frequently Asked Questions

What is the IUPAC name of tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate (CID 133059343) is tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1nc2cnccc2s1.
What is the InChIKey of tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The InChIKey is MJAVVNWMPIFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(2,3)15-10(14)9-13-7-6-12-5-4-8(7)16-9/h4-6H,1-3H3.
What are the key properties of tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 133059343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).