N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C16H15N3OS — CID 746691

IUPACN-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H15N3OS/c1-2-20-15-8-4-3-7-13(15)18-16-19-14(11-21-16)12-6-5-9-17-10-12/h3-11H,2H2,1H3,(H,18,19)
InChIKeyCFMJTIHWRFWNKD-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.35
Rot. Bonds5

About N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 746691) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID746691
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H15N3OS/c1-2-20-15-8-4-3-7-13(15)18-16-19-14(11-21-16)12-6-5-9-17-10-12/h3-11H,2H2,1H3,(H,18,19)
InChIKeyCFMJTIHWRFWNKD-UHFFFAOYSA-N
XLogP4.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 746691) is N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is CCOc1ccccc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is CFMJTIHWRFWNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-20-15-8-4-3-7-13(15)18-16-19-14(11-21-16)12-6-5-9-17-10-12/h3-11H,2H2,1H3,(H,18,19).
What are the key properties of N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 746691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).