(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol

C11H12N2OS — CID 104769478

IUPAC(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCc1cncc(C(O)c2nc(C)cs2)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-9(5-12-4-7)10(14)11-13-8(2)6-15-11/h3-6,10,14H,1-2H3
InChIKeyDYHJUJROMFSOPH-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.24
Rot. Bonds2

About (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol

(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol (PubChem CID 104769478) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol
PubChem CID104769478
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCc1cncc(C(O)c2nc(C)cs2)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-9(5-12-4-7)10(14)11-13-8(2)6-15-11/h3-6,10,14H,1-2H3
InChIKeyDYHJUJROMFSOPH-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol (CID 104769478) is (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol is Cc1cncc(C(O)c2nc(C)cs2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The InChIKey is DYHJUJROMFSOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-3-9(5-12-4-7)10(14)11-13-8(2)6-15-11/h3-6,10,14H,1-2H3.
What are the key properties of (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol has a molecular weight of 220.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 104769478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).