2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol

C13H19N3OS — CID 69227357

IUPAC2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol
SMILESCC1=C(CCO)SCN1Cc1ccc(C)nc1N
InChIInChI=1S/C13H19N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,17H,5-8H2,1-2H3,(H2,14,15)
InChIKeyRRIXWSAMAUAGQH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.09
Rot. Bonds4

About 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol

2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol (PubChem CID 69227357) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol
PubChem CID69227357
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol
SMILESCC1=C(CCO)SCN1Cc1ccc(C)nc1N
InChIInChI=1S/C13H19N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,17H,5-8H2,1-2H3,(H2,14,15)
InChIKeyRRIXWSAMAUAGQH-UHFFFAOYSA-N
XLogP2.09
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol (CID 69227357) is 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol is CC1=C(CCO)SCN1Cc1ccc(C)nc1N.
What is the InChIKey of 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol?
The InChIKey is RRIXWSAMAUAGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,17H,5-8H2,1-2H3,(H2,14,15).
What are the key properties of 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol?
2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol has a molecular weight of 265.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 69227357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).