[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate

C17H15FN2O4S3 — CID 31276009

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESO=C(CCNS(=O)(=O)c1cccs1)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN2O4S3/c18-13-5-3-12(4-6-13)17-20-14(11-26-17)10-24-15(21)7-8-19-27(22,23)16-2-1-9-25-16/h1-6,9,11,19H,7-8,10H2
InChIKeyULJDMDJFCBKYPA-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.42
Rot. Bonds8

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 31276009) has the molecular formula C17H15FN2O4S3 and a molecular weight of 426.52 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID31276009
Molecular FormulaC17H15FN2O4S3
Molecular Weight426.52 g/mol
Exact Mass426.02
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESO=C(CCNS(=O)(=O)c1cccs1)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN2O4S3/c18-13-5-3-12(4-6-13)17-20-14(11-26-17)10-24-15(21)7-8-19-27(22,23)16-2-1-9-25-16/h1-6,9,11,19H,7-8,10H2
InChIKeyULJDMDJFCBKYPA-UHFFFAOYSA-N
XLogP3.42
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate 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

[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320535
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 43033404
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-phenylethenylsulfonylamino)propanoate
CID 4797496
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 8653895
[4-(2-cyanophenyl)phenyl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 18276982
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate
CID 8907506
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 5310371
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836920
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]-3-oxo-3-phenylpropanoate
CID 23371312

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate (CID 31276009) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate is O=C(CCNS(=O)(=O)c1cccs1)OCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is ULJDMDJFCBKYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S3/c18-13-5-3-12(4-6-13)17-20-14(11-26-17)10-24-15(21)7-8-19-27(22,23)16-2-1-9-25-16/h1-6,9,11,19H,7-8,10H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 426.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 31276009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).