[4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol

C16H15N3O2S — CID 86575952

IUPAC[4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol
SMILESOCc1ccc(CO)c(Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C16H15N3O2S/c20-8-11-4-5-12(9-21)14(7-11)18-16-19-15(10-22-16)13-3-1-2-6-17-13/h1-7,10,20-21H,8-9H2,(H,18,19)
InChIKeyQWSZATGETZWJRU-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.93
Rot. Bonds5

About [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol

[4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol (PubChem CID 86575952) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol
PubChem CID86575952
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name[4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol
SMILESOCc1ccc(CO)c(Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C16H15N3O2S/c20-8-11-4-5-12(9-21)14(7-11)18-16-19-15(10-22-16)13-3-1-2-6-17-13/h1-7,10,20-21H,8-9H2,(H,18,19)
InChIKeyQWSZATGETZWJRU-UHFFFAOYSA-N
XLogP2.93
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol (CID 86575952) is [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol is OCc1ccc(CO)c(Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol?
The InChIKey is QWSZATGETZWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-8-11-4-5-12(9-21)14(7-11)18-16-19-15(10-22-16)13-3-1-2-6-17-13/h1-7,10,20-21H,8-9H2,(H,18,19).
What are the key properties of [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol?
[4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol has a molecular weight of 313.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 86575952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).