N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H21ClFN3OS2 — CID 119936602

IUPACN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(Cc2cnc(NC(=O)CC3CSCCN3)s2)cc1F.Cl
InChIInChI=1S/C17H20FN3OS2.ClH/c1-11-2-3-12(7-15(11)18)6-14-9-20-17(24-14)21-16(22)8-13-10-23-5-4-19-13;/h2-3,7,9,13,19H,4-6,8,10H2,1H3,(H,20,21,22);1H
InChIKeyHDZGOCHLVUMBBZ-UHFFFAOYSA-N
MW401.96 g/mol
LogP3.64
Rot. Bonds5

About N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936602) has the molecular formula C17H21ClFN3OS2 and a molecular weight of 401.96 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936602
Molecular FormulaC17H21ClFN3OS2
Molecular Weight401.96 g/mol
Exact Mass401.08
IUPAC NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(Cc2cnc(NC(=O)CC3CSCCN3)s2)cc1F.Cl
InChIInChI=1S/C17H20FN3OS2.ClH/c1-11-2-3-12(7-15(11)18)6-14-9-20-17(24-14)21-16(22)8-13-10-23-5-4-19-13;/h2-3,7,9,13,19H,4-6,8,10H2,1H3,(H,20,21,22);1H
InChIKeyHDZGOCHLVUMBBZ-UHFFFAOYSA-N
XLogP3.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119718780
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119718786
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47026420
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 56812814
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938862
3-[[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074678
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119937303
3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 56531821

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936602) is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1ccc(Cc2cnc(NC(=O)CC3CSCCN3)s2)cc1F.Cl.
What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is HDZGOCHLVUMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS2.ClH/c1-11-2-3-12(7-15(11)18)6-14-9-20-17(24-14)21-16(22)8-13-10-23-5-4-19-13;/h2-3,7,9,13,19H,4-6,8,10H2,1H3,(H,20,21,22);1H.
What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).