5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole

C12H14FNS — CID 142184116

IUPAC5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESC/C=C\C(=C/C=C/F)c1sc(C)nc1C
InChIInChI=1S/C12H14FNS/c1-4-6-11(7-5-8-13)12-9(2)14-10(3)15-12/h4-8H,1-3H3/b6-4-,8-5+,11-7+
InChIKeyFZLRYRDBCLIUDW-QWBMTJBBSA-N
MW223.32 g/mol
LogP4.20
Rot. Bonds3

About 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole

5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 142184116) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole
PubChem CID142184116
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESC/C=C\C(=C/C=C/F)c1sc(C)nc1C
InChIInChI=1S/C12H14FNS/c1-4-6-11(7-5-8-13)12-9(2)14-10(3)15-12/h4-8H,1-3H3/b6-4-,8-5+,11-7+
InChIKeyFZLRYRDBCLIUDW-QWBMTJBBSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-Ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole
CID 58074460
4-But-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole
CID 123848288
2-methyl-4-propan-2-yl-5-[(3Z,5E)-6-(trifluoromethyl)octa-3,5-dien-2-yl]-1,3-thiazole
CID 134225753
2-Methyl-4-(4-methylcyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 141930070
5-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201052
5-(5-Fluorocyclohepta-1,4,6-trien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201053
5-(3-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201079
4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 142516310
2-(4-Fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole
CID 143199630
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 145509630
2-Methyl-6-(trifluoromethyl)-6,7-dihydro-1,3-benzothiazole
CID 148134851
5-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine
CID 163609868

Frequently Asked Questions

What is the IUPAC name of 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole (CID 142184116) is 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole is C/C=C\C(=C/C=C/F)c1sc(C)nc1C.
What is the InChIKey of 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is FZLRYRDBCLIUDW-QWBMTJBBSA-N. The full InChI is InChI=1S/C12H14FNS/c1-4-6-11(7-5-8-13)12-9(2)14-10(3)15-12/h4-8H,1-3H3/b6-4-,8-5+,11-7+.
What are the key properties of 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole?
5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 223.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 142184116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).