[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C19H15FN4O4S — CID 8920773

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccnc2)n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C19H15FN4O4S/c20-14-5-1-2-6-15(14)23-19(27)24-16(25)10-28-17(26)8-13-11-29-18(22-13)12-4-3-7-21-9-12/h1-7,9,11H,8,10H2,(H2,23,24,25,27)
InChIKeyCAPGPMHYYPRSLH-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.78
Rot. Bonds6

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8920773) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8920773
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccnc2)n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C19H15FN4O4S/c20-14-5-1-2-6-15(14)23-19(27)24-16(25)10-28-17(26)8-13-11-29-18(22-13)12-4-3-7-21-9-12/h1-7,9,11H,8,10H2,(H2,23,24,25,27)
InChIKeyCAPGPMHYYPRSLH-UHFFFAOYSA-N
XLogP2.78
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-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

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918987
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919250
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919041
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919575
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8921005
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
(2-oxo-2-thiophen-2-ylethyl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919072
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130912
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920169
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206176

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8920773) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is O=C(COC(=O)Cc1csc(-c2cccnc2)n1)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is CAPGPMHYYPRSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c20-14-5-1-2-6-15(14)23-19(27)24-16(25)10-28-17(26)8-13-11-29-18(22-13)12-4-3-7-21-9-12/h1-7,9,11H,8,10H2,(H2,23,24,25,27).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 414.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8920773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).