[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol

C10H10N2OS — CID 167449107

IUPAC[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(Cc2ccncc2)cs1
InChIInChI=1S/C10H10N2OS/c13-6-10-12-9(7-14-10)5-8-1-3-11-4-2-8/h1-4,7,13H,5-6H2
InChIKeyWQBLCXZNCZKVDW-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.62
Rot. Bonds3

About [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol

[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 167449107) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol
PubChem CID167449107
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(Cc2ccncc2)cs1
InChIInChI=1S/C10H10N2OS/c13-6-10-12-9(7-14-10)5-8-1-3-11-4-2-8/h1-4,7,13H,5-6H2
InChIKeyWQBLCXZNCZKVDW-UHFFFAOYSA-N
XLogP1.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 167449137
N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55086572
4-chloro-2-(pyridin-4-ylmethyl)-1,3-thiazole
CID 83159119
2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
CID 62551222
[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol
CID 164648577
CID 174107142
CID 174107142
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 48673152
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
(4-amino-1,3-thiazol-2-yl)methanol
CID 18533370
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol (CID 167449107) is [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol is OCc1nc(Cc2ccncc2)cs1.
What is the InChIKey of [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is WQBLCXZNCZKVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-6-10-12-9(7-14-10)5-8-1-3-11-4-2-8/h1-4,7,13H,5-6H2.
What are the key properties of [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol?
[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 206.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 167449107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).