N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide

C15H18N4OS — CID 66420642

IUPACN-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C15H18N4OS/c20-15(10-12-11-21-9-7-16-12)18-13-4-1-2-5-14(13)19-8-3-6-17-19/h1-6,8,12,16H,7,9-11H2,(H,18,20)
InChIKeyNTACXJNCVIUMDY-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.91
Rot. Bonds4

About N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide

N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420642) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420642
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C15H18N4OS/c20-15(10-12-11-21-9-7-16-12)18-13-4-1-2-5-14(13)19-8-3-6-17-19/h1-6,8,12,16H,7,9-11H2,(H,18,20)
InChIKeyNTACXJNCVIUMDY-UHFFFAOYSA-N
XLogP1.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941058
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-[(4-pyrazol-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936845
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide
CID 119941158
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide (CID 66420642) is N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccccc1-n1cccn1.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is NTACXJNCVIUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-15(10-12-11-21-9-7-16-12)18-13-4-1-2-5-14(13)19-8-3-6-17-19/h1-6,8,12,16H,7,9-11H2,(H,18,20).
What are the key properties of N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 302.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).