(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol

C12H15N3OS — CID 83132151

IUPAC(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2cscn2)cn1
InChIInChI=1S/C12H15N3OS/c1-9(16)12-4-3-11(5-13-12)15(2)6-10-7-17-8-14-10/h3-5,7-9,16H,6H2,1-2H3/t9-/m1/s1
InChIKeyZFZSLMZNPYMZIW-SECBINFHSA-N
MW249.34 g/mol
LogP2.23
Rot. Bonds4

About (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol

(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132151) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
PubChem CID83132151
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2cscn2)cn1
InChIInChI=1S/C12H15N3OS/c1-9(16)12-4-3-11(5-13-12)15(2)6-10-7-17-8-14-10/h3-5,7-9,16H,6H2,1-2H3/t9-/m1/s1
InChIKeyZFZSLMZNPYMZIW-SECBINFHSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol (CID 83132151) is (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(N(C)Cc2cscn2)cn1.
What is the InChIKey of (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol?
The InChIKey is ZFZSLMZNPYMZIW-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(16)12-4-3-11(5-13-12)15(2)6-10-7-17-8-14-10/h3-5,7-9,16H,6H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol?
(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol has a molecular weight of 249.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).