N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride

C8H15Cl2N3S — CID 126796924

IUPACN,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride
SMILESCN(C)c1nc2c(s1)CNCC2.Cl.Cl
InChIInChI=1S/C8H13N3S.2ClH/c1-11(2)8-10-6-3-4-9-5-7(6)12-8;;/h9H,3-5H2,1-2H3;2*1H
InChIKeyFBIIVDJFKSFIGY-UHFFFAOYSA-N
MW256.20 g/mol
LogP1.70
Rot. Bonds1

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

N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride (PubChem CID 126796924) has the molecular formula C8H15Cl2N3S and a molecular weight of 256.20 g/mol. Its IUPAC name is N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride
PubChem CID126796924
Molecular FormulaC8H15Cl2N3S
Molecular Weight256.20 g/mol
Exact Mass255.04
IUPAC NameN,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride
SMILESCN(C)c1nc2c(s1)CNCC2.Cl.Cl
InChIInChI=1S/C8H13N3S.2ClH/c1-11(2)8-10-6-3-4-9-5-7(6)12-8;;/h9H,3-5H2,1-2H3;2*1H
InChIKeyFBIIVDJFKSFIGY-UHFFFAOYSA-N
XLogP1.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride (CID 126796924) is N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride is CN(C)c1nc2c(s1)CNCC2.Cl.Cl.
What is the InChIKey of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
The InChIKey is FBIIVDJFKSFIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.2ClH/c1-11(2)8-10-6-3-4-9-5-7(6)12-8;;/h9H,3-5H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride?
N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride has a molecular weight of 256.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 126796924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).