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

C16H15N3S — CID 972709

IUPACN-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C16H15N3S/c1-2-5-13(6-3-1)8-10-18-16-19-15(12-20-16)14-7-4-9-17-11-14/h1-7,9,11-12H,8,10H2,(H,18,19)
InChIKeyUCRCFPODINPNEY-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.86
Rot. Bonds5

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

N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 972709) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID972709
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C16H15N3S/c1-2-5-13(6-3-1)8-10-18-16-19-15(12-20-16)14-7-4-9-17-11-14/h1-7,9,11-12H,8,10H2,(H,18,19)
InChIKeyUCRCFPODINPNEY-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 972709) is N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is c1ccc(CCNc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is UCRCFPODINPNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-5-13(6-3-1)8-10-18-16-19-15(12-20-16)14-7-4-9-17-11-14/h1-7,9,11-12H,8,10H2,(H,18,19).
What are the key properties of N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).