(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide

C16H19N3OS2 — CID 95302146

IUPAC(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
SMILESO=C(NCc1nccs1)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H19N3OS2/c20-16(18-12-14-17-6-9-22-14)15(13-4-2-1-3-5-13)19-7-10-21-11-8-19/h1-6,9,15H,7-8,10-12H2,(H,18,20)/t15-/m0/s1
InChIKeyIFBRVKIIMWOEGC-HNNXBMFYSA-N
MW333.48 g/mol
LogP2.55
Rot. Bonds5

About (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide

(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide (PubChem CID 95302146) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
PubChem CID95302146
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
SMILESO=C(NCc1nccs1)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H19N3OS2/c20-16(18-12-14-17-6-9-22-14)15(13-4-2-1-3-5-13)19-7-10-21-11-8-19/h1-6,9,15H,7-8,10-12H2,(H,18,20)/t15-/m0/s1
InChIKeyIFBRVKIIMWOEGC-HNNXBMFYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 62878373
2-(4-butyl-2,3-dioxopiperazin-1-yl)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 70782632
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47783596
2-phenyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 129204775
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide (CID 95302146) is (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide is O=C(NCc1nccs1)[C@H](c1ccccc1)N1CCSCC1.
What is the InChIKey of (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The InChIKey is IFBRVKIIMWOEGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c20-16(18-12-14-17-6-9-22-14)15(13-4-2-1-3-5-13)19-7-10-21-11-8-19/h1-6,9,15H,7-8,10-12H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide has a molecular weight of 333.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 95302146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).