(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine

C18H26N4OS — CID 98784933

IUPAC(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESC[C@@H]1CN([C@H](C)CNCc2csc(-c3ccccn3)n2)C[C@H](C)O1
InChIInChI=1S/C18H26N4OS/c1-13(22-10-14(2)23-15(3)11-22)8-19-9-16-12-24-18(21-16)17-6-4-5-7-20-17/h4-7,12-15,19H,8-11H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyZZDTUSBMXTXNFJ-KFWWJZLASA-N
MW346.50 g/mol
LogP2.79
Rot. Bonds6

About (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine

(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 98784933) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID98784933
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESC[C@@H]1CN([C@H](C)CNCc2csc(-c3ccccn3)n2)C[C@H](C)O1
InChIInChI=1S/C18H26N4OS/c1-13(22-10-14(2)23-15(3)11-22)8-19-9-16-12-24-18(21-16)17-6-4-5-7-20-17/h4-7,12-15,19H,8-11H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyZZDTUSBMXTXNFJ-KFWWJZLASA-N
XLogP2.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
(2S)-1-[4-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274206
6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
CID 43234312
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
3-propan-2-yloxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 43234375
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598448
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 98784933) is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine is C[C@@H]1CN([C@H](C)CNCc2csc(-c3ccccn3)n2)C[C@H](C)O1.
What is the InChIKey of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZZDTUSBMXTXNFJ-KFWWJZLASA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(22-10-14(2)23-15(3)11-22)8-19-9-16-12-24-18(21-16)17-6-4-5-7-20-17/h4-7,12-15,19H,8-11H2,1-3H3/t13-,14-,15+/m1/s1.
What are the key properties of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 346.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 98784933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).