N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

C17H19N3OS — CID 68628785

IUPACN-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccccc1C(CNC1=NCCS1)c1cccnc1
InChIInChI=1S/C17H19N3OS/c1-21-16-7-3-2-6-14(16)15(13-5-4-8-18-11-13)12-20-17-19-9-10-22-17/h2-8,11,15H,9-10,12H2,1H3,(H,19,20)
InChIKeyCUEYPHCMQHBQAF-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 68628785) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID68628785
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccccc1C(CNC1=NCCS1)c1cccnc1
InChIInChI=1S/C17H19N3OS/c1-21-16-7-3-2-6-14(16)15(13-5-4-8-18-11-13)12-20-17-19-9-10-22-17/h2-8,11,15H,9-10,12H2,1H3,(H,19,20)
InChIKeyCUEYPHCMQHBQAF-UHFFFAOYSA-N
XLogP2.91
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 68628785) is N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is COc1ccccc1C(CNC1=NCCS1)c1cccnc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CUEYPHCMQHBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-21-16-7-3-2-6-14(16)15(13-5-4-8-18-11-13)12-20-17-19-9-10-22-17/h2-8,11,15H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 68628785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).