4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride

C7H9ClN2O2S — CID 68643955

IUPAC4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nc2c(s1)CNCC2
InChIInChI=1S/C7H8N2O2S.ClH/c10-7(11)6-9-4-1-2-8-3-5(4)12-6;/h8H,1-3H2,(H,10,11);1H
InChIKeyIAXOHPQQBQEJGN-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.91
Rot. Bonds1

About 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride

4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 68643955) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride
PubChem CID68643955
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nc2c(s1)CNCC2
InChIInChI=1S/C7H8N2O2S.ClH/c10-7(11)6-9-4-1-2-8-3-5(4)12-6;/h8H,1-3H2,(H,10,11);1H
InChIKeyIAXOHPQQBQEJGN-UHFFFAOYSA-N
XLogP0.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride (CID 68643955) is 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1nc2c(s1)CNCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is IAXOHPQQBQEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S.ClH/c10-7(11)6-9-4-1-2-8-3-5(4)12-6;/h8H,1-3H2,(H,10,11);1H.
What are the key properties of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 220.68 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 68643955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).