(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

C17H21N3OS2 — CID 95282210

IUPAC(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCc1nc(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)cs1
InChIInChI=1S/C17H21N3OS2/c1-13-19-15(12-23-13)11-18-17(21)16(14-5-3-2-4-6-14)20-7-9-22-10-8-20/h2-6,12,16H,7-11H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyRQAGERPXZDJUFC-MRXNPFEDSA-N
MW347.51 g/mol
LogP2.86
Rot. Bonds5

About (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 95282210) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID95282210
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCc1nc(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)cs1
InChIInChI=1S/C17H21N3OS2/c1-13-19-15(12-23-13)11-18-17(21)16(14-5-3-2-4-6-14)20-7-9-22-10-8-20/h2-6,12,16H,7-11H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyRQAGERPXZDJUFC-MRXNPFEDSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 51099897
(2S)-2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 94819164
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 94030307
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47783596
3-amino-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895360
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 95282210) is (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is Cc1nc(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)cs1.
What is the InChIKey of (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is RQAGERPXZDJUFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-13-19-15(12-23-13)11-18-17(21)16(14-5-3-2-4-6-14)20-7-9-22-10-8-20/h2-6,12,16H,7-11H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 347.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 95282210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).