N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide

C17H24FN3O2S — CID 154856127

IUPACN-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CCCN(C(=O)C2CCC(F)C2)CC1)c1cncs1
InChIInChI=1S/C17H24FN3O2S/c18-14-4-3-13(8-14)17(23)21-6-1-2-12(5-7-21)9-20-16(22)15-10-19-11-24-15/h10-14H,1-9H2,(H,20,22)
InChIKeyBPSRRZTYRUYQNX-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.64
Rot. Bonds4

About N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 154856127) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID154856127
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC NameN-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CCCN(C(=O)C2CCC(F)C2)CC1)c1cncs1
InChIInChI=1S/C17H24FN3O2S/c18-14-4-3-13(8-14)17(23)21-6-1-2-12(5-7-21)9-20-16(22)15-10-19-11-24-15/h10-14H,1-9H2,(H,20,22)
InChIKeyBPSRRZTYRUYQNX-UHFFFAOYSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 73439408
2-(1,3-thiazol-5-ylmethyl)-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 134789159
2-bromo-N-(3-methylhexyl)-1,3-thiazole-5-carboxamide
CID 20328387
2-bromo-N-(4-cyclopentylbutyl)-1,3-thiazole-5-carboxamide
CID 20328496
2-bromo-N-(4-ethylhexyl)-1,3-thiazole-5-carboxamide
CID 20328531
2-bromo-N-(3-cyclopentylpropyl)-1,3-thiazole-5-carboxamide
CID 20328540
2-bromo-N-(2-cyclopentylethyl)-1,3-thiazole-5-carboxamide
CID 20328562
2-bromo-N-(4-methylhexyl)-1,3-thiazole-5-carboxamide
CID 20328616
N-(2-cyclopentylethyl)-2-ethylsulfinyl-1,3-thiazole-5-carboxamide
CID 68123348
2-ethylsulfanyl-N-[4-(2-oxo-6-bicyclo[3.1.0]hexanyl)butyl]-1,3-thiazole-5-carboxamide
CID 68127335
Ethane;2-[[(3-methylcyclopentanecarbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 144242158
2-[1-(2,5-Dimethylhexanoylamino)ethyl]-1,3-thiazole-5-carboxamide;ethane
CID 144242184

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 154856127) is N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCC1CCCN(C(=O)C2CCC(F)C2)CC1)c1cncs1.
What is the InChIKey of N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BPSRRZTYRUYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c18-14-4-3-13(8-14)17(23)21-6-1-2-12(5-7-21)9-20-16(22)15-10-19-11-24-15/h10-14H,1-9H2,(H,20,22).
What are the key properties of N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorocyclopentanecarbonyl)azepan-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154856127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).