N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H21N3OS2 — CID 95630125

IUPACN-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESC[C@H]1SCCN(CC(=O)N(C)c2nccs2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H21N3OS2/c1-13-16(14-6-4-3-5-7-14)20(9-11-22-13)12-15(21)19(2)17-18-8-10-23-17/h3-8,10,13,16H,9,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyWBYNGQSDYMNNNO-CJNGLKHVSA-N
MW347.51 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95630125) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95630125
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC NameN-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESC[C@H]1SCCN(CC(=O)N(C)c2nccs2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H21N3OS2/c1-13-16(14-6-4-3-5-7-14)20(9-11-22-13)12-15(21)19(2)17-18-8-10-23-17/h3-8,10,13,16H,9,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyWBYNGQSDYMNNNO-CJNGLKHVSA-N
XLogP3.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95975344
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95318447
N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
CID 95630149
N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95139935
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 60504796
N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 120871075
2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95621644
2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95766273
2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
CID 119931929
2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 119036801
phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 111489714

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 95630125) is N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is C[C@H]1SCCN(CC(=O)N(C)c2nccs2)[C@@H]1c1ccccc1.
What is the InChIKey of N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WBYNGQSDYMNNNO-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-13-16(14-6-4-3-5-7-14)20(9-11-22-13)12-15(21)19(2)17-18-8-10-23-17/h3-8,10,13,16H,9,11-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 347.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95630125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).