(3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one

C19H26N4O3S — CID 156818010

IUPAC(3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one
SMILESCOC[C@H](N)C(=O)Cc1nc(-c2cccc(N3C[C@@H](C)O[C@@H](C)C3)n2)cs1
InChIInChI=1S/C19H26N4O3S/c1-12-8-23(9-13(2)26-12)18-6-4-5-15(21-18)16-11-27-19(22-16)7-17(24)14(20)10-25-3/h4-6,11-14H,7-10,20H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyOWMNADSEDXOKAT-MJBXVCDLSA-N
MW390.51 g/mol
LogP1.90
Rot. Bonds7

About (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one

(3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one (PubChem CID 156818010) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one
PubChem CID156818010
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one
SMILESCOC[C@H](N)C(=O)Cc1nc(-c2cccc(N3C[C@@H](C)O[C@@H](C)C3)n2)cs1
InChIInChI=1S/C19H26N4O3S/c1-12-8-23(9-13(2)26-12)18-6-4-5-15(21-18)16-11-27-19(22-16)7-17(24)14(20)10-25-3/h4-6,11-14H,7-10,20H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyOWMNADSEDXOKAT-MJBXVCDLSA-N
XLogP1.90
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one?
The IUPAC name of (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one (CID 156818010) is (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one.
What is the SMILES notation for (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one?
The canonical SMILES for (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one is COC[C@H](N)C(=O)Cc1nc(-c2cccc(N3C[C@@H](C)O[C@@H](C)C3)n2)cs1.
What is the InChIKey of (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one?
The InChIKey is OWMNADSEDXOKAT-MJBXVCDLSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12-8-23(9-13(2)26-12)18-6-4-5-15(21-18)16-11-27-19(22-16)7-17(24)14(20)10-25-3/h4-6,11-14H,7-10,20H2,1-3H3/t12-,13+,14-/m0/s1.
What are the key properties of (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one?
(3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one has a molecular weight of 390.51 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one is sourced from PubChem (CID 156818010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).