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

C14H16FN3OS2 — CID 43250430

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1nc(N)sc1SCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS2/c1-9-13(21-14(16)18-9)20-8-12(19)17-7-6-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMPQPMYJVESUKFR-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.62
Rot. Bonds6

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

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43250430) 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-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID43250430
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1nc(N)sc1SCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS2/c1-9-13(21-14(16)18-9)20-8-12(19)17-7-6-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMPQPMYJVESUKFR-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]amino]butanoate
CID 43250665
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43250576
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 17458015
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 43249711
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7660850
2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide
CID 91813308
N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide
CID 145363297
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-[2-(4-fluorophenyl)ethyl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4819245
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37140323

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 43250430) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is Cc1nc(N)sc1SCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MPQPMYJVESUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS2/c1-9-13(21-14(16)18-9)20-8-12(19)17-7-6-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 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-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43250430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).