[2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine

C17H24N4OS — CID 77447384

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cc(-c2sc(N3CC(C)OC(C)C3)nc2CN)c(C)cn1
InChIInChI=1S/C17H24N4OS/c1-10-7-19-11(2)5-14(10)16-15(6-18)20-17(23-16)21-8-12(3)22-13(4)9-21/h5,7,12-13H,6,8-9,18H2,1-4H3
InChIKeyIJXJMUFLOVTCQZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.89
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine

[2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 77447384) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine
PubChem CID77447384
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cc(-c2sc(N3CC(C)OC(C)C3)nc2CN)c(C)cn1
InChIInChI=1S/C17H24N4OS/c1-10-7-19-11(2)5-14(10)16-15(6-18)20-17(23-16)21-8-12(3)22-13(4)9-21/h5,7,12-13H,6,8-9,18H2,1-4H3
InChIKeyIJXJMUFLOVTCQZ-UHFFFAOYSA-N
XLogP2.89
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine (CID 77447384) is [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine is Cc1cc(-c2sc(N3CC(C)OC(C)C3)nc2CN)c(C)cn1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is IJXJMUFLOVTCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10-7-19-11(2)5-14(10)16-15(6-18)20-17(23-16)21-8-12(3)22-13(4)9-21/h5,7,12-13H,6,8-9,18H2,1-4H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine?
[2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 332.47 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-5-(2,5-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 77447384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).