N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine

C18H19N3O2S — CID 972956

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(-c3ccncc3)cs2)cc1OC
InChIInChI=1S/C18H19N3O2S/c1-22-16-4-3-13(11-17(16)23-2)5-10-20-18-21-15(12-24-18)14-6-8-19-9-7-14/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,20,21)
InChIKeyWZIHWUONKFTQRZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 972956) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID972956
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(-c3ccncc3)cs2)cc1OC
InChIInChI=1S/C18H19N3O2S/c1-22-16-4-3-13(11-17(16)23-2)5-10-20-18-21-15(12-24-18)14-6-8-19-9-7-14/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,20,21)
InChIKeyWZIHWUONKFTQRZ-UHFFFAOYSA-N
XLogP3.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 972956) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine is COc1ccc(CCNc2nc(-c3ccncc3)cs2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is WZIHWUONKFTQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-22-16-4-3-13(11-17(16)23-2)5-10-20-18-21-15(12-24-18)14-6-8-19-9-7-14/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 341.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).