N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C19H16N4O2S — CID 87943850

IUPACN-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2ncco2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H16N4O2S/c1-2-24-17-6-5-13(18-21-8-9-25-18)10-15(17)22-19-23-16(12-26-19)14-4-3-7-20-11-14/h3-12H,2H2,1H3,(H,22,23)
InChIKeyIXWQNJQKUFPZMT-UHFFFAOYSA-N
MW364.43 g/mol
LogP5.00
Rot. Bonds6

About N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 87943850) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID87943850
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2ncco2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H16N4O2S/c1-2-24-17-6-5-13(18-21-8-9-25-18)10-15(17)22-19-23-16(12-26-19)14-4-3-7-20-11-14/h3-12H,2H2,1H3,(H,22,23)
InChIKeyIXWQNJQKUFPZMT-UHFFFAOYSA-N
XLogP5.00
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 87943850) is N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is CCOc1ccc(-c2ncco2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is IXWQNJQKUFPZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-24-17-6-5-13(18-21-8-9-25-18)10-15(17)22-19-23-16(12-26-19)14-4-3-7-20-11-14/h3-12H,2H2,1H3,(H,22,23).
What are the key properties of N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 364.43 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87943850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).