2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C15H14FN3O2S — CID 16947198

IUPAC2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCNC(=O)C1CCc2sc(NC(=O)c3ccc(F)cc3)nc21
InChIInChI=1S/C15H14FN3O2S/c1-17-14(21)10-6-7-11-12(10)18-15(22-11)19-13(20)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJHAMFARZUCAZKT-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.31
Rot. Bonds3

About 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947198) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947198
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESCNC(=O)C1CCc2sc(NC(=O)c3ccc(F)cc3)nc21
InChIInChI=1S/C15H14FN3O2S/c1-17-14(21)10-6-7-11-12(10)18-15(22-11)19-13(20)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJHAMFARZUCAZKT-UHFFFAOYSA-N
XLogP2.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16947198) is 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is CNC(=O)C1CCc2sc(NC(=O)c3ccc(F)cc3)nc21.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is JHAMFARZUCAZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-17-14(21)10-6-7-11-12(10)18-15(22-11)19-13(20)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).