2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole

C12H14F3NS — CID 163705900

IUPAC2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2C=CC(C(F)(F)F)=CC2)SC(C)N1
InChIInChI=1S/C12H14F3NS/c1-7-11(17-8(2)16-7)9-3-5-10(6-4-9)12(13,14)15/h3,5-6,8-9,16H,4H2,1-2H3
InChIKeyKFAWFRDFNIZTJR-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.97
Rot. Bonds1

About 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole

2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole (PubChem CID 163705900) has the molecular formula C12H14F3NS and a molecular weight of 261.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole
PubChem CID163705900
Molecular FormulaC12H14F3NS
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2C=CC(C(F)(F)F)=CC2)SC(C)N1
InChIInChI=1S/C12H14F3NS/c1-7-11(17-8(2)16-7)9-3-5-10(6-4-9)12(13,14)15/h3,5-6,8-9,16H,4H2,1-2H3
InChIKeyKFAWFRDFNIZTJR-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole with MolForge

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Related Compounds

2-Cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole
CID 70248787
2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole
CID 162561415
5-(3,5-Difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
CID 163782421
2-fluoro-N-[(Z)-3-iodo-4-methyl-2-[(Z)-prop-1-enyl]pent-2-enyl]-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)cyclohexa-1,5-dien-1-amine
CID 163887991
5-(5-Fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
CID 163942857
2,5-Dimethyl-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 138569579
Ethane;2-(2-methylpropyl)-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 144145266
4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 143039775
2-(2-Methylpropyl)-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 144145267

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole (CID 163705900) is 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole is CC1=C(C2C=CC(C(F)(F)F)=CC2)SC(C)N1.
What is the InChIKey of 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
The InChIKey is KFAWFRDFNIZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NS/c1-7-11(17-8(2)16-7)9-3-5-10(6-4-9)12(13,14)15/h3,5-6,8-9,16H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole has a molecular weight of 261.31 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 163705900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).