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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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).