2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole

C16H22FNS — CID 170033245

IUPAC2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC(C)C1=CSC(C2=CC=C(F)C(C(C)C)=CC2)N1
InChIInChI=1S/C16H22FNS/c1-10(2)13-7-5-12(6-8-14(13)17)16-18-15(9-19-16)11(3)4/h6-11,16,18H,5H2,1-4H3
InChIKeyLHYMGPKPFKMKKC-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.91
Rot. Bonds3

About 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole

2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 170033245) has the molecular formula C16H22FNS and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID170033245
Molecular FormulaC16H22FNS
Molecular Weight279.42 g/mol
Exact Mass279.15
IUPAC Name2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC(C)C1=CSC(C2=CC=C(F)C(C(C)C)=CC2)N1
InChIInChI=1S/C16H22FNS/c1-10(2)13-7-5-12(6-8-14(13)17)16-18-15(9-19-16)11(3)4/h6-11,16,18H,5H2,1-4H3
InChIKeyLHYMGPKPFKMKKC-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 170033245) is 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole is CC(C)C1=CSC(C2=CC=C(F)C(C(C)C)=CC2)N1.
What is the InChIKey of 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is LHYMGPKPFKMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNS/c1-10(2)13-7-5-12(6-8-14(13)17)16-18-15(9-19-16)11(3)4/h6-11,16,18H,5H2,1-4H3.
What are the key properties of 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole has a molecular weight of 279.42 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-4-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 170033245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).