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

C16H15N3S — CID 746667

IUPACN-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCc1ccccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H15N3S/c1-2-12-6-3-4-8-14(12)18-16-19-15(11-20-16)13-7-5-9-17-10-13/h3-11H,2H2,1H3,(H,18,19)
InChIKeyCBJIEBBVQLAUTF-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.51
Rot. Bonds4

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

N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 746667) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID746667
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCc1ccccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H15N3S/c1-2-12-6-3-4-8-14(12)18-16-19-15(11-20-16)13-7-5-9-17-10-13/h3-11H,2H2,1H3,(H,18,19)
InChIKeyCBJIEBBVQLAUTF-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 746667) is N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is CCc1ccccc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is CBJIEBBVQLAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-12-6-3-4-8-14(12)18-16-19-15(11-20-16)13-7-5-9-17-10-13/h3-11H,2H2,1H3,(H,18,19).
What are the key properties of N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 746667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).