N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride

C11H19Cl2N3OS — CID 142576360

IUPACN-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride
SMILESC1Cc2nc(NCC3CCOC3)sc2CN1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-3-12-6-10-9(1)14-11(16-10)13-5-8-2-4-15-7-8;;/h8,12H,1-7H2,(H,13,14);2*1H
InChIKeyXSWOVBVJGJCAKA-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.08
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride

N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride (PubChem CID 142576360) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride
PubChem CID142576360
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride
SMILESC1Cc2nc(NCC3CCOC3)sc2CN1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-3-12-6-10-9(1)14-11(16-10)13-5-8-2-4-15-7-8;;/h8,12H,1-7H2,(H,13,14);2*1H
InChIKeyXSWOVBVJGJCAKA-UHFFFAOYSA-N
XLogP2.08
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
The IUPAC name of N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride (CID 142576360) is N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride is C1Cc2nc(NCC3CCOC3)sc2CN1.Cl.Cl.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
The InChIKey is XSWOVBVJGJCAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-3-12-6-10-9(1)14-11(16-10)13-5-8-2-4-15-7-8;;/h8,12H,1-7H2,(H,13,14);2*1H.
What are the key properties of N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 142576360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).