N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H21ClN4OS — CID 119936154

IUPACN-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1nccc(-c2cccc(NC(=O)CC3CSCCN3)c2)n1.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-12-18-6-5-16(20-12)13-3-2-4-14(9-13)21-17(22)10-15-11-23-8-7-19-15;/h2-6,9,15,19H,7-8,10-11H2,1H3,(H,21,22);1H
InChIKeyXPWDEVVLLQDFET-UHFFFAOYSA-N
MW364.90 g/mol
LogP2.91
Rot. Bonds4

About N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936154) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936154
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC NameN-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1nccc(-c2cccc(NC(=O)CC3CSCCN3)c2)n1.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-12-18-6-5-16(20-12)13-3-2-4-14(9-13)21-17(22)10-15-11-23-8-7-19-15;/h2-6,9,15,19H,7-8,10-11H2,1H3,(H,21,22);1H
InChIKeyXPWDEVVLLQDFET-UHFFFAOYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941815
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940067
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936409
N-[3-[(3-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939106
N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119280479
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936154) is N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1nccc(-c2cccc(NC(=O)CC3CSCCN3)c2)n1.Cl.
What is the InChIKey of N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is XPWDEVVLLQDFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.ClH/c1-12-18-6-5-16(20-12)13-3-2-4-14(9-13)21-17(22)10-15-11-23-8-7-19-15;/h2-6,9,15,19H,7-8,10-11H2,1H3,(H,21,22);1H.
What are the key properties of N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).