5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol

C13H16N2OS — CID 83130372

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol
SMILESCC(C)(C)c1csc(Cc2cncc(O)c2)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)11-8-17-12(15-11)5-9-4-10(16)7-14-6-9/h4,6-8,16H,5H2,1-3H3
InChIKeyRXCFAFZXVJGJDJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.13
Rot. Bonds2

About 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol

5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol (PubChem CID 83130372) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol
PubChem CID83130372
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol
SMILESCC(C)(C)c1csc(Cc2cncc(O)c2)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)11-8-17-12(15-11)5-9-4-10(16)7-14-6-9/h4,6-8,16H,5H2,1-3H3
InChIKeyRXCFAFZXVJGJDJ-UHFFFAOYSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
CID 113415601
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
CID 79817942
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115401016
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one
CID 83130975
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105115618
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
CID 79817396
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-fluorobenzaldehyde
CID 79817070
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 79817297
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169633
4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]thiadiazole
CID 2739454
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 79817008
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine
CID 105409171

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol (CID 83130372) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol is CC(C)(C)c1csc(Cc2cncc(O)c2)n1.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol?
The InChIKey is RXCFAFZXVJGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(2,3)11-8-17-12(15-11)5-9-4-10(16)7-14-6-9/h4,6-8,16H,5H2,1-3H3.
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol?
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol has a molecular weight of 248.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol is sourced from PubChem (CID 83130372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).