(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone

C11H5ClF3NOS2 — CID 142615564

IUPAC(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1cccc(SC(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H5ClF3NOS2/c12-10-16-5-8(18-10)9(17)6-2-1-3-7(4-6)19-11(13,14)15/h1-5H
InChIKeyRJTGZOQPRQKMNJ-UHFFFAOYSA-N
MW323.75 g/mol
LogP4.64
Rot. Bonds3

About (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone

(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 142615564) has the molecular formula C11H5ClF3NOS2 and a molecular weight of 323.75 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID142615564
Molecular FormulaC11H5ClF3NOS2
Molecular Weight323.75 g/mol
Exact Mass322.95
IUPAC Name(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1cccc(SC(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H5ClF3NOS2/c12-10-16-5-8(18-10)9(17)6-2-1-3-7(4-6)19-11(13,14)15/h1-5H
InChIKeyRJTGZOQPRQKMNJ-UHFFFAOYSA-N
XLogP4.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone (CID 142615564) is (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1cccc(SC(F)(F)F)c1)c1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is RJTGZOQPRQKMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NOS2/c12-10-16-5-8(18-10)9(17)6-2-1-3-7(4-6)19-11(13,14)15/h1-5H.
What are the key properties of (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
(2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 323.75 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)-[3-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 142615564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).