2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide

C16H20N4OS — CID 51099897

IUPAC2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
SMILESO=C(NCc1ccn[nH]1)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H20N4OS/c21-16(17-12-14-6-7-18-19-14)15(13-4-2-1-3-5-13)20-8-10-22-11-9-20/h1-7,15H,8-12H2,(H,17,21)(H,18,19)
InChIKeySURFJNCXGPXHHV-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.82
Rot. Bonds5

About 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide

2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide (PubChem CID 51099897) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound Name2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
PubChem CID51099897
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
SMILESO=C(NCc1ccn[nH]1)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H20N4OS/c21-16(17-12-14-6-7-18-19-14)15(13-4-2-1-3-5-13)20-8-10-22-11-9-20/h1-7,15H,8-12H2,(H,17,21)(H,18,19)
InChIKeySURFJNCXGPXHHV-UHFFFAOYSA-N
XLogP1.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 94819164
(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
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
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
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-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 60587255

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide (CID 51099897) is 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide is O=C(NCc1ccn[nH]1)C(c1ccccc1)N1CCSCC1.
What is the InChIKey of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The InChIKey is SURFJNCXGPXHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(17-12-14-6-7-18-19-14)15(13-4-2-1-3-5-13)20-8-10-22-11-9-20/h1-7,15H,8-12H2,(H,17,21)(H,18,19).
What are the key properties of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide?
2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide has a molecular weight of 316.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 51099897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).