2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide

C17H22N4O2S — CID 155037559

IUPAC2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESC[C@@H]1CN(c2cccc(-c3csc(NC(=O)CN)n3)c2)C[C@@H](C)O1
InChIInChI=1S/C17H22N4O2S/c1-11-8-21(9-12(2)23-11)14-5-3-4-13(6-14)15-10-24-17(19-15)20-16(22)7-18/h3-6,10-12H,7-9,18H2,1-2H3,(H,19,20,22)/t11-,12-/m1/s1
InChIKeyAYQXHCCANLWVPQ-VXGBXAGGSA-N
MW346.46 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155037559) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155037559
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESC[C@@H]1CN(c2cccc(-c3csc(NC(=O)CN)n3)c2)C[C@@H](C)O1
InChIInChI=1S/C17H22N4O2S/c1-11-8-21(9-12(2)23-11)14-5-3-4-13(6-14)15-10-24-17(19-15)20-16(22)7-18/h3-6,10-12H,7-9,18H2,1-2H3,(H,19,20,22)/t11-,12-/m1/s1
InChIKeyAYQXHCCANLWVPQ-VXGBXAGGSA-N
XLogP2.32
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668523
2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155026656
N-[2-[[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-5-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
CID 154666839
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 25315739
2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 154667723
tert-butyl N-[2-[[4-[3-[(2R)-2-methylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 154667971
2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154669651
3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]benzamide
CID 142392077
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 142392046
N-[2-[[4-[3-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide (CID 155037559) is 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide is C[C@@H]1CN(c2cccc(-c3csc(NC(=O)CN)n3)c2)C[C@@H](C)O1.
What is the InChIKey of 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is AYQXHCCANLWVPQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-8-21(9-12(2)23-11)14-5-3-4-13(6-14)15-10-24-17(19-15)20-16(22)7-18/h3-6,10-12H,7-9,18H2,1-2H3,(H,19,20,22)/t11-,12-/m1/s1.
What are the key properties of 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155037559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).