(5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone

C15H6ClF3N4O2S — CID 149010399

IUPAC(5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(-c2noc(C(F)(F)F)n2)cs1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H6ClF3N4O2S/c16-6-1-2-9-7(3-6)8(4-20-9)11(24)13-21-10(5-26-13)12-22-14(25-23-12)15(17,18)19/h1-5,20H
InChIKeyQBKKRNIRWMCPKG-UHFFFAOYSA-N
MW398.75 g/mol
LogP4.58
Rot. Bonds3

About (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone

(5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone (PubChem CID 149010399) has the molecular formula C15H6ClF3N4O2S and a molecular weight of 398.75 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone
PubChem CID149010399
Molecular FormulaC15H6ClF3N4O2S
Molecular Weight398.75 g/mol
Exact Mass397.99
IUPAC Name(5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(-c2noc(C(F)(F)F)n2)cs1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H6ClF3N4O2S/c16-6-1-2-9-7(3-6)8(4-20-9)11(24)13-21-10(5-26-13)12-22-14(25-23-12)15(17,18)19/h1-5,20H
InChIKeyQBKKRNIRWMCPKG-UHFFFAOYSA-N
XLogP4.58
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.75
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone (CID 149010399) is (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone is O=C(c1nc(-c2noc(C(F)(F)F)n2)cs1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone?
The InChIKey is QBKKRNIRWMCPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF3N4O2S/c16-6-1-2-9-7(3-6)8(4-20-9)11(24)13-21-10(5-26-13)12-22-14(25-23-12)15(17,18)19/h1-5,20H.
What are the key properties of (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone?
(5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone has a molecular weight of 398.75 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 149010399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).