4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide

C20H17FN4O3S — CID 42208627

IUPAC4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H17FN4O3S/c21-14-5-1-13(2-6-14)19(28)25-20-24-16(11-29-20)9-10-17(26)23-15-7-3-12(4-8-15)18(22)27/h1-8,11H,9-10H2,(H2,22,27)(H,23,26)(H,24,25,28)
InChIKeyGNGKCGKGJDMQDT-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.20
Rot. Bonds7

About 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide

4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide (PubChem CID 42208627) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
PubChem CID42208627
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H17FN4O3S/c21-14-5-1-13(2-6-14)19(28)25-20-24-16(11-29-20)9-10-17(26)23-15-7-3-12(4-8-15)18(22)27/h1-8,11H,9-10H2,(H2,22,27)(H,23,26)(H,24,25,28)
InChIKeyGNGKCGKGJDMQDT-UHFFFAOYSA-N
XLogP3.20
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[3-(2-ethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 42208585
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
ethyl 4-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333071
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 18568131
N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 27378495
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 42208461
4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228817

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide (CID 42208627) is 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide?
The InChIKey is GNGKCGKGJDMQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c21-14-5-1-13(2-6-14)19(28)25-20-24-16(11-29-20)9-10-17(26)23-15-7-3-12(4-8-15)18(22)27/h1-8,11H,9-10H2,(H2,22,27)(H,23,26)(H,24,25,28).
What are the key properties of 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide?
4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide is sourced from PubChem (CID 42208627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).