2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole

C14H17F4NS — CID 162561415

IUPAC2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole
SMILESC=C(CC(/C=C/F)C(F)(F)F)C1=C(C)NC(C2CC2)S1
InChIInChI=1S/C14H17F4NS/c1-8(7-11(5-6-15)14(16,17)18)12-9(2)19-13(20-12)10-3-4-10/h5-6,10-11,13,19H,1,3-4,7H2,2H3/b6-5+
InChIKeyQOGJNXIZMDAOJO-AATRIKPKSA-N
MW307.36 g/mol
LogP4.90
Rot. Bonds5

About 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole

2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 162561415) has the molecular formula C14H17F4NS and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole
PubChem CID162561415
Molecular FormulaC14H17F4NS
Molecular Weight307.36 g/mol
Exact Mass307.10
IUPAC Name2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole
SMILESC=C(CC(/C=C/F)C(F)(F)F)C1=C(C)NC(C2CC2)S1
InChIInChI=1S/C14H17F4NS/c1-8(7-11(5-6-15)14(16,17)18)12-9(2)19-13(20-12)10-3-4-10/h5-6,10-11,13,19H,1,3-4,7H2,2H3/b6-5+
InChIKeyQOGJNXIZMDAOJO-AATRIKPKSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole (CID 162561415) is 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole is C=C(CC(/C=C/F)C(F)(F)F)C1=C(C)NC(C2CC2)S1.
What is the InChIKey of 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is QOGJNXIZMDAOJO-AATRIKPKSA-N. The full InChI is InChI=1S/C14H17F4NS/c1-8(7-11(5-6-15)14(16,17)18)12-9(2)19-13(20-12)10-3-4-10/h5-6,10-11,13,19H,1,3-4,7H2,2H3/b6-5+.
What are the key properties of 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole?
2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 307.36 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(5E)-6-fluoro-4-(trifluoromethyl)hexa-1,5-dien-2-yl]-4-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 162561415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).