2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride

C7H12Cl2N2S — CID 155822244

IUPAC2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride
SMILESCc1nc2c(s1)CCNC2.Cl.Cl
InChIInChI=1S/C7H10N2S.2ClH/c1-5-9-6-4-8-3-2-7(6)10-5;;/h8H,2-4H2,1H3;2*1H
InChIKeyHDSGZTOPKHSPAF-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.94
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride

2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride (PubChem CID 155822244) has the molecular formula C7H12Cl2N2S and a molecular weight of 227.16 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride
PubChem CID155822244
Molecular FormulaC7H12Cl2N2S
Molecular Weight227.16 g/mol
Exact Mass226.01
IUPAC Name2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride
SMILESCc1nc2c(s1)CCNC2.Cl.Cl
InChIInChI=1S/C7H10N2S.2ClH/c1-5-9-6-4-8-3-2-7(6)10-5;;/h8H,2-4H2,1H3;2*1H
InChIKeyHDSGZTOPKHSPAF-UHFFFAOYSA-N
XLogP1.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride (CID 155822244) is 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride is Cc1nc2c(s1)CCNC2.Cl.Cl.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride?
The InChIKey is HDSGZTOPKHSPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.2ClH/c1-5-9-6-4-8-3-2-7(6)10-5;;/h8H,2-4H2,1H3;2*1H.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride?
2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride has a molecular weight of 227.16 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 155822244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).