methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate

C15H17FN2O2S — CID 80574724

IUPACmethyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O2S/c1-10(7-11-3-5-12(16)6-4-11)17-15-18-13(9-21-15)8-14(19)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyKJYMZYUQPFSBPY-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.04
Rot. Bonds6

About methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574724) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574724
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Namemethyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O2S/c1-10(7-11-3-5-12(16)6-4-11)17-15-18-13(9-21-15)8-14(19)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyKJYMZYUQPFSBPY-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate 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 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80574203
methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574015
methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986062
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7789394
ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574794
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
methyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575155

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate (CID 80574724) is methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KJYMZYUQPFSBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10(7-11-3-5-12(16)6-4-11)17-15-18-13(9-21-15)8-14(19)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 308.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).