5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine

C16H17N5OS — CID 134151795

IUPAC5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCOCc1sc(NCc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C16H17N5OS/c1-2-22-11-13-15(12-6-3-4-7-17-12)21-16(23-13)20-10-14-18-8-5-9-19-14/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyGLJZXLLJNBPJGF-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.14
Rot. Bonds7

About 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine

5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 134151795) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID134151795
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCOCc1sc(NCc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C16H17N5OS/c1-2-22-11-13-15(12-6-3-4-7-17-12)21-16(23-13)20-10-14-18-8-5-9-19-14/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyGLJZXLLJNBPJGF-UHFFFAOYSA-N
XLogP3.14
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine (CID 134151795) is 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine is CCOCc1sc(NCc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GLJZXLLJNBPJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-22-11-13-15(12-6-3-4-7-17-12)21-16(23-13)20-10-14-18-8-5-9-19-14/h3-9H,2,10-11H2,1H3,(H,20,21).
What are the key properties of 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 327.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 134151795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).