7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one

C14H8F3NO3S — CID 5418018

IUPAC7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCc1csc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)n1
InChIInChI=1S/C14H8F3NO3S/c1-6-5-22-13(18-6)10-11(20)8-3-2-7(19)4-9(8)21-12(10)14(15,16)17/h2-5,19H,1H3
InChIKeyAECARRZTFMQRBY-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.95
Rot. Bonds1

About 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one

7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 5418018) has the molecular formula C14H8F3NO3S and a molecular weight of 327.28 g/mol. Its IUPAC name is 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one
PubChem CID5418018
Molecular FormulaC14H8F3NO3S
Molecular Weight327.28 g/mol
Exact Mass327.02
IUPAC Name7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCc1csc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)n1
InChIInChI=1S/C14H8F3NO3S/c1-6-5-22-13(18-6)10-11(20)8-3-2-7(19)4-9(8)21-12(10)14(15,16)17/h2-5,19H,1H3
InChIKeyAECARRZTFMQRBY-UHFFFAOYSA-N
XLogP3.95
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one (CID 5418018) is 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one is Cc1csc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)n1.
What is the InChIKey of 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is AECARRZTFMQRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3S/c1-6-5-22-13(18-6)10-11(20)8-3-2-7(19)4-9(8)21-12(10)14(15,16)17/h2-5,19H,1H3.
What are the key properties of 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 327.28 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 5418018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).