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

C13H17N3O2S — CID 116686414

IUPAC5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)c2nccs2)c1O
InChIInChI=1S/C13H17N3O2S/c1-8-12(18)11(10(7-17)5-15-8)6-16-9(2)13-14-3-4-19-13/h3-5,9,16-18H,6-7H2,1-2H3
InChIKeyODWCAUGCHNQFLZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.90
Rot. Bonds5

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

5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol (PubChem CID 116686414) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol
PubChem CID116686414
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)c2nccs2)c1O
InChIInChI=1S/C13H17N3O2S/c1-8-12(18)11(10(7-17)5-15-8)6-16-9(2)13-14-3-4-19-13/h3-5,9,16-18H,6-7H2,1-2H3
InChIKeyODWCAUGCHNQFLZ-UHFFFAOYSA-N
XLogP1.90
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol
CID 116686503
5-(hydroxymethyl)-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
CID 116686454
4-[[1-(2-chlorophenyl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686234
4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686363
methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-3-methylbutanoate
CID 116686269
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 115906881
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606910
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978
5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol
CID 115742670
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol (CID 116686414) is 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol is Cc1ncc(CO)c(CNC(C)c2nccs2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is ODWCAUGCHNQFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-12(18)11(10(7-17)5-15-8)6-16-9(2)13-14-3-4-19-13/h3-5,9,16-18H,6-7H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 279.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 116686414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).