N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide

C18H21FN4OS — CID 99815846

IUPACN-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
SMILESCN(C(=O)C[C@H]1CSCCN1)[C@@H](c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C18H21FN4OS/c1-23(16(24)11-15-12-25-10-9-20-15)17(18-21-7-2-8-22-18)13-3-5-14(19)6-4-13/h2-8,15,17,20H,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyVIJPIRGUFSRUDJ-RDJZCZTQSA-N
MW360.46 g/mol
LogP2.26
Rot. Bonds5

About N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide

N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide (PubChem CID 99815846) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
PubChem CID99815846
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
SMILESCN(C(=O)C[C@H]1CSCCN1)[C@@H](c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C18H21FN4OS/c1-23(16(24)11-15-12-25-10-9-20-15)17(18-21-7-2-8-22-18)13-3-5-14(19)6-4-13/h2-8,15,17,20H,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyVIJPIRGUFSRUDJ-RDJZCZTQSA-N
XLogP2.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494564
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide
CID 56789712
N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119937905

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide (CID 99815846) is N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide is CN(C(=O)C[C@H]1CSCCN1)[C@@H](c1ccc(F)cc1)c1ncccn1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
The InChIKey is VIJPIRGUFSRUDJ-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-23(16(24)11-15-12-25-10-9-20-15)17(18-21-7-2-8-22-18)13-3-5-14(19)6-4-13/h2-8,15,17,20H,9-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide?
N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide is sourced from PubChem (CID 99815846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).