[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate

C11H11N3O2S — CID 174555012

IUPAC[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate
SMILESO=COC(Cc1cscn1)Nc1cccnc1
InChIInChI=1S/C11H11N3O2S/c15-8-16-11(4-10-6-17-7-13-10)14-9-2-1-3-12-5-9/h1-3,5-8,11,14H,4H2
InChIKeyQTRUGJSMXBRDQK-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.69
Rot. Bonds6

About [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate

[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate (PubChem CID 174555012) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate.

Molecular Properties

Compound Name[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate
PubChem CID174555012
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate
SMILESO=COC(Cc1cscn1)Nc1cccnc1
InChIInChI=1S/C11H11N3O2S/c15-8-16-11(4-10-6-17-7-13-10)14-9-2-1-3-12-5-9/h1-3,5-8,11,14H,4H2
InChIKeyQTRUGJSMXBRDQK-UHFFFAOYSA-N
XLogP1.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174645355
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 98518017
ethyl (3S)-3-pyridin-3-yl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoate
CID 146150565
[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate
CID 175251940
2-(4-fluorophenyl)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305024
2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 46396677
N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 62529372
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate?
The IUPAC name of [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate (CID 174555012) is [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate.
What is the SMILES notation for [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate?
The canonical SMILES for [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate is O=COC(Cc1cscn1)Nc1cccnc1.
What is the InChIKey of [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate?
The InChIKey is QTRUGJSMXBRDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-8-16-11(4-10-6-17-7-13-10)14-9-2-1-3-12-5-9/h1-3,5-8,11,14H,4H2.
What are the key properties of [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate?
[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate has a molecular weight of 249.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate is sourced from PubChem (CID 174555012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).