[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol

C13H11N5OS — CID 71549256

IUPAC[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C13H11N5OS/c19-8-10-11(9-4-1-2-5-14-9)17-13(20-10)18-12-15-6-3-7-16-12/h1-7,19H,8H2,(H,15,16,17,18)
InChIKeyRXLFKSFMSCGFBD-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.23
Rot. Bonds4

About [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol

[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 71549256) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol
PubChem CID71549256
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C13H11N5OS/c19-8-10-11(9-4-1-2-5-14-9)17-13(20-10)18-12-15-6-3-7-16-12/h1-7,19H,8H2,(H,15,16,17,18)
InChIKeyRXLFKSFMSCGFBD-UHFFFAOYSA-N
XLogP2.23
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol (CID 71549256) is [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol is OCc1sc(Nc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is RXLFKSFMSCGFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c19-8-10-11(9-4-1-2-5-14-9)17-13(20-10)18-12-15-6-3-7-16-12/h1-7,19H,8H2,(H,15,16,17,18).
What are the key properties of [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol?
[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 285.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71549256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).