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

C7H12Br2N2S — CID 138040785

IUPAC2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide
SMILESBr.Br.Cc1nc2c(s1)CNCC2
InChIInChI=1S/C7H10N2S.2BrH/c1-5-9-6-2-3-8-4-7(6)10-5;;/h8H,2-4H2,1H3;2*1H
InChIKeyRSEIVMTUYYURCS-UHFFFAOYSA-N
MW316.06 g/mol
LogP2.25
Rot. Bonds

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

2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide (PubChem CID 138040785) has the molecular formula C7H12Br2N2S and a molecular weight of 316.06 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide
PubChem CID138040785
Molecular FormulaC7H12Br2N2S
Molecular Weight316.06 g/mol
Exact Mass313.91
IUPAC Name2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide
SMILESBr.Br.Cc1nc2c(s1)CNCC2
InChIInChI=1S/C7H10N2S.2BrH/c1-5-9-6-2-3-8-4-7(6)10-5;;/h8H,2-4H2,1H3;2*1H
InChIKeyRSEIVMTUYYURCS-UHFFFAOYSA-N
XLogP2.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.06
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 2397998
4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine
CID 21941992
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 13519687
1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
2-bromo-5-methyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine
CID 21760783
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine dihydrochloride
CID 75481703
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079696
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile hydrochloride
CID 121552547
2-bromo-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine dihydrobromide
CID 121553402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide (CID 138040785) is 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide is Br.Br.Cc1nc2c(s1)CNCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide?
The InChIKey is RSEIVMTUYYURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.2BrH/c1-5-9-6-2-3-8-4-7(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[5,4-c]pyridine;dihydrobromide?
2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrobromide has a molecular weight of 316.06 g/mol, XLogP of 2.25, 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[5,4-c]pyridine;dihydrobromide is sourced from PubChem (CID 138040785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).