5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole

C11H11F2NS — CID 163831930

IUPAC5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C2=CC=C(F)C(F)C2)s1
InChIInChI=1S/C11H11F2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-4,10H,5H2,1-2H3
InChIKeyOEIGUOLINHCPCJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.74
Rot. Bonds1

About 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole

5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole (PubChem CID 163831930) has the molecular formula C11H11F2NS and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
PubChem CID163831930
Molecular FormulaC11H11F2NS
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C2=CC=C(F)C(F)C2)s1
InChIInChI=1S/C11H11F2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-4,10H,5H2,1-2H3
InChIKeyOEIGUOLINHCPCJ-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole (CID 163831930) is 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(C2=CC=C(F)C(F)C2)s1.
What is the InChIKey of 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is OEIGUOLINHCPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-4,10H,5H2,1-2H3.
What are the key properties of 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 227.28 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 163831930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).