2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride

C15H26Cl2N4O2S — CID 120796855

IUPAC2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCN1CCc2nc(NC(=O)C(N)C3CCOCC3)sc2C1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-2-19-6-3-11-12(9-19)22-15(17-11)18-14(20)13(16)10-4-7-21-8-5-10;;/h10,13H,2-9,16H2,1H3,(H,17,18,20);2*1H
InChIKeyGVXXFIXVGATUJP-UHFFFAOYSA-N
MW397.37 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120796855) has the molecular formula C15H26Cl2N4O2S and a molecular weight of 397.37 g/mol. Its IUPAC name is 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120796855
Molecular FormulaC15H26Cl2N4O2S
Molecular Weight397.37 g/mol
Exact Mass396.12
IUPAC Name2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCN1CCc2nc(NC(=O)C(N)C3CCOCC3)sc2C1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-2-19-6-3-11-12(9-19)22-15(17-11)18-14(20)13(16)10-4-7-21-8-5-10;;/h10,13H,2-9,16H2,1H3,(H,17,18,20);2*1H
InChIKeyGVXXFIXVGATUJP-UHFFFAOYSA-N
XLogP2.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 119828537
2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120786534
1-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119828524
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine-2-carboxamide
CID 119828563
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828534
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide
CID 119828535
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 78821805
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 78875278
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpropanamide
CID 120594561
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827061

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120796855) is 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride is CCN1CCc2nc(NC(=O)C(N)C3CCOCC3)sc2C1.Cl.Cl.
What is the InChIKey of 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is GVXXFIXVGATUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.2ClH/c1-2-19-6-3-11-12(9-19)22-15(17-11)18-14(20)13(16)10-4-7-21-8-5-10;;/h10,13H,2-9,16H2,1H3,(H,17,18,20);2*1H.
What are the key properties of 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 397.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120796855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).