benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C14H12N2O2S — CID 90022529

IUPACbenzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CC2=NCSC2=C1
InChIInChI=1S/C14H12N2O2S/c17-14(18-9-11-4-2-1-3-5-11)16-7-6-12-13(8-16)19-10-15-12/h1-8H,9-10H2
InChIKeyQHSQHLNGIOAARE-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.14
Rot. Bonds2

About benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 90022529) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID90022529
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Namebenzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CC2=NCSC2=C1
InChIInChI=1S/C14H12N2O2S/c17-14(18-9-11-4-2-1-3-5-11)16-7-6-12-13(8-16)19-10-15-12/h1-8H,9-10H2
InChIKeyQHSQHLNGIOAARE-UHFFFAOYSA-N
XLogP3.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 150328218
pyridin-2-ylmethyl 2H-thieno[2,3-c]pyridine-6-carboxylate
CID 141131376
benzyl 3-carbamoyl-4-deuterio-4H-pyridine-1-carboxylate
CID 101164836
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2H-azete-1-carboxylate
CID 140983848
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 2-oxo-1,3-thiazolidine-3-carboxylate
CID 86013885
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(2-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 23077829
benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 141237024
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196

Frequently Asked Questions

What is the IUPAC name of benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 90022529) is benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is O=C(OCc1ccccc1)N1C=CC2=NCSC2=C1.
What is the InChIKey of benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is QHSQHLNGIOAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-14(18-9-11-4-2-1-3-5-11)16-7-6-12-13(8-16)19-10-15-12/h1-8H,9-10H2.
What are the key properties of benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 90022529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).