N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H21N3O2S — CID 95371996

IUPACN-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H21N3O2S/c1-12-8-20(9-15-11-23-17(19-15)18-13(2)21)10-16(22-12)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,19,21)/t12-,16+/m0/s1
InChIKeyWIPKETGGTNZHAI-BLLLJJGKSA-N
MW331.44 g/mol
LogP3.06
Rot. Bonds4

About N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95371996) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95371996
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H21N3O2S/c1-12-8-20(9-15-11-23-17(19-15)18-13(2)21)10-16(22-12)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,19,21)/t12-,16+/m0/s1
InChIKeyWIPKETGGTNZHAI-BLLLJJGKSA-N
XLogP3.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
(2S)-N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 30197433
(E)-N-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 51931192
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 42933445
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 127348482
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55507965
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119840454

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 95371996) is N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cs1.
What is the InChIKey of N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WIPKETGGTNZHAI-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-8-20(9-15-11-23-17(19-15)18-13(2)21)10-16(22-12)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,19,21)/t12-,16+/m0/s1.
What are the key properties of N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95371996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).