N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide

C17H20FN3OS2 — CID 119937303

IUPACN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(NC(=O)CC2CSCCN2)sc1Cc1ccccc1F
InChIInChI=1S/C17H20FN3OS2/c1-11-15(8-12-4-2-3-5-14(12)18)24-17(20-11)21-16(22)9-13-10-23-7-6-19-13/h2-5,13,19H,6-10H2,1H3,(H,20,21,22)
InChIKeyIZFIKAAUMIZVNO-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.22
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide

N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937303) has the molecular formula C17H20FN3OS2 and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937303
Molecular FormulaC17H20FN3OS2
Molecular Weight365.50 g/mol
Exact Mass365.10
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(NC(=O)CC2CSCCN2)sc1Cc1ccccc1F
InChIInChI=1S/C17H20FN3OS2/c1-11-15(8-12-4-2-3-5-14(12)18)24-17(20-11)21-16(22)9-13-10-23-7-6-19-13/h2-5,13,19H,6-10H2,1H3,(H,20,21,22)
InChIKeyIZFIKAAUMIZVNO-UHFFFAOYSA-N
XLogP3.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420895
N-[1-(2-fluorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936755
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 112846123
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120589562
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936602
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938862
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide (CID 119937303) is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide is Cc1nc(NC(=O)CC2CSCCN2)sc1Cc1ccccc1F.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is IZFIKAAUMIZVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS2/c1-11-15(8-12-4-2-3-5-14(12)18)24-17(20-11)21-16(22)9-13-10-23-7-6-19-13/h2-5,13,19H,6-10H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 365.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).