2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C14H16FN3OS2 — CID 43250307

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1nc(N)sc1SCC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C14H16FN3OS2/c1-9-13(21-14(16)17-9)20-8-12(19)18(2)7-10-5-3-4-6-11(10)15/h3-6H,7-8H2,1-2H3,(H2,16,17)
InChIKeyCKHZIQIWNNRREW-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.92
Rot. Bonds5

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 43250307) has the molecular formula C14H16FN3OS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID43250307
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1nc(N)sc1SCC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C14H16FN3OS2/c1-9-13(21-14(16)17-9)20-8-12(19)18(2)7-10-5-3-4-6-11(10)15/h3-6H,7-8H2,1-2H3,(H2,16,17)
InChIKeyCKHZIQIWNNRREW-UHFFFAOYSA-N
XLogP2.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 9199506
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43250337
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8569553
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
ethyl 2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetate
CID 78812762
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 40682539
N-[(2-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 8682452
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8846778
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
N-[(2-fluorophenyl)methyl]-2-(3-hydroxypropylsulfanyl)-N-methylacetamide
CID 66112745
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 43250307) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is Cc1nc(N)sc1SCC(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is CKHZIQIWNNRREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS2/c1-9-13(21-14(16)17-9)20-8-12(19)18(2)7-10-5-3-4-6-11(10)15/h3-6H,7-8H2,1-2H3,(H2,16,17).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 325.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 43250307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).