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

C11H13F2NS — CID 163782421

IUPAC5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2=CC(F)CC(F)=C2)SC(C)N1
InChIInChI=1S/C11H13F2NS/c1-6-11(15-7(2)14-6)8-3-9(12)5-10(13)4-8/h3-4,7,9,14H,5H2,1-2H3
InChIKeyMPROGGQPHZFKKS-UHFFFAOYSA-N
MW229.29 g/mol
LogP3.42
Rot. Bonds1

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

5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 163782421) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
PubChem CID163782421
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2=CC(F)CC(F)=C2)SC(C)N1
InChIInChI=1S/C11H13F2NS/c1-6-11(15-7(2)14-6)8-3-9(12)5-10(13)4-8/h3-4,7,9,14H,5H2,1-2H3
InChIKeyMPROGGQPHZFKKS-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole (CID 163782421) is 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole is CC1=C(C2=CC(F)CC(F)=C2)SC(C)N1.
What is the InChIKey of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is MPROGGQPHZFKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c1-6-11(15-7(2)14-6)8-3-9(12)5-10(13)4-8/h3-4,7,9,14H,5H2,1-2H3.
What are the key properties of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 229.29 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 163782421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).