azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C11H13F3N2OS — CID 84556923

IUPACazepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1scnc1C(F)(F)F)N1CCCCCC1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)9-8(18-7-15-9)10(17)16-5-3-1-2-4-6-16/h7H,1-6H2
InChIKeyJGRXRERWCVUUBL-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.18
Rot. Bonds1

About azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 84556923) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID84556923
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Nameazepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1scnc1C(F)(F)F)N1CCCCCC1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)9-8(18-7-15-9)10(17)16-5-3-1-2-4-6-16/h7H,1-6H2
InChIKeyJGRXRERWCVUUBL-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one
CID 84560090
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 84556925
4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
CID 135150553
1-(4-tert-butyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119353708
N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84561087
azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone
CID 127002356
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110676615
[(3aR,6aS)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 138045955
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84550019
N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554018
(4-tert-butyl-1,3-thiazol-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577957
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 84556923) is azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1scnc1C(F)(F)F)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is JGRXRERWCVUUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c12-11(13,14)9-8(18-7-15-9)10(17)16-5-3-1-2-4-6-16/h7H,1-6H2.
What are the key properties of azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 278.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 84556923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).