5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine

C9H9N3OS — CID 117217667

IUPAC5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine
SMILESNc1cnsc1COc1cccnc1
InChIInChI=1S/C9H9N3OS/c10-8-5-12-14-9(8)6-13-7-2-1-3-11-4-7/h1-5H,6,10H2
InChIKeyIPBOFTLZYIUGRY-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.70
Rot. Bonds3

About 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine

5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine (PubChem CID 117217667) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine.

Molecular Properties

Compound Name5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine
PubChem CID117217667
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine
SMILESNc1cnsc1COc1cccnc1
InChIInChI=1S/C9H9N3OS/c10-8-5-12-14-9(8)6-13-7-2-1-3-11-4-7/h1-5H,6,10H2
InChIKeyIPBOFTLZYIUGRY-UHFFFAOYSA-N
XLogP1.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
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6-pyridin-3-yloxyhexan-1-amine;hydrochloride
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3-[(4-methylphenyl)methoxy]pyridine
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2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
CID 117170427
[3-(pyridin-3-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62451931
1,1-dioxo-2-(pyridin-3-yloxymethyl)-1,3-thiazol-5-amine
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3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine?
The IUPAC name of 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine (CID 117217667) is 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine.
What is the SMILES notation for 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine?
The canonical SMILES for 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine is Nc1cnsc1COc1cccnc1.
What is the InChIKey of 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine?
The InChIKey is IPBOFTLZYIUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-8-5-12-14-9(8)6-13-7-2-1-3-11-4-7/h1-5H,6,10H2.
What are the key properties of 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine?
5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine has a molecular weight of 207.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine is sourced from PubChem (CID 117217667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).