N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine

C21H24N4O2S — CID 56662650

IUPACN-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccncc3OCCN3CCOCC3)cs2)c1
InChIInChI=1S/C21H24N4O2S/c1-16-3-2-4-17(13-16)23-21-24-19(15-28-21)18-5-6-22-14-20(18)27-12-9-25-7-10-26-11-8-25/h2-6,13-15H,7-12H2,1H3,(H,23,24)
InChIKeyPDZBXDAHOFVOBM-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.97
Rot. Bonds7

About N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine

N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 56662650) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID56662650
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccncc3OCCN3CCOCC3)cs2)c1
InChIInChI=1S/C21H24N4O2S/c1-16-3-2-4-17(13-16)23-21-24-19(15-28-21)18-5-6-22-14-20(18)27-12-9-25-7-10-26-11-8-25/h2-6,13-15H,7-12H2,1H3,(H,23,24)
InChIKeyPDZBXDAHOFVOBM-UHFFFAOYSA-N
XLogP3.97
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine (CID 56662650) is N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccncc3OCCN3CCOCC3)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is PDZBXDAHOFVOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-16-3-2-4-17(13-16)23-21-24-19(15-28-21)18-5-6-22-14-20(18)27-12-9-25-7-10-26-11-8-25/h2-6,13-15H,7-12H2,1H3,(H,23,24).
What are the key properties of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 396.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).