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

C14H16F3NS — CID 70248787

IUPAC2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2C=CC=C(C(F)(F)F)C2)SC(C2CC2)N1
InChIInChI=1S/C14H16F3NS/c1-8-12(19-13(18-8)9-5-6-9)10-3-2-4-11(7-10)14(15,16)17/h2-4,9-10,13,18H,5-7H2,1H3
InChIKeyZQQCXJUPCZQPLO-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.36
Rot. Bonds2

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

2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole (PubChem CID 70248787) has the molecular formula C14H16F3NS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole
PubChem CID70248787
Molecular FormulaC14H16F3NS
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2C=CC=C(C(F)(F)F)C2)SC(C2CC2)N1
InChIInChI=1S/C14H16F3NS/c1-8-12(19-13(18-8)9-5-6-9)10-3-2-4-11(7-10)14(15,16)17/h2-4,9-10,13,18H,5-7H2,1H3
InChIKeyZQQCXJUPCZQPLO-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole (CID 70248787) is 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole is CC1=C(C2C=CC=C(C(F)(F)F)C2)SC(C2CC2)N1.
What is the InChIKey of 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
The InChIKey is ZQQCXJUPCZQPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NS/c1-8-12(19-13(18-8)9-5-6-9)10-3-2-4-11(7-10)14(15,16)17/h2-4,9-10,13,18H,5-7H2,1H3.
What are the key properties of 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole?
2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole has a molecular weight of 287.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 70248787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).