5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole

C10H12FNS — CID 143331089

IUPAC5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
SMILESC/C(F)=C\C=C/Cc1cnc(C)s1
InChIInChI=1S/C10H12FNS/c1-8(11)5-3-4-6-10-7-12-9(2)13-10/h3-5,7H,6H2,1-2H3/b4-3-,8-5+
InChIKeyIEWOHBJZZQNCJC-HMRFFJRGSA-N
MW197.28 g/mol
LogP3.42
Rot. Bonds3

About 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole

5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole (PubChem CID 143331089) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
PubChem CID143331089
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
SMILESC/C(F)=C\C=C/Cc1cnc(C)s1
InChIInChI=1S/C10H12FNS/c1-8(11)5-3-4-6-10-7-12-9(2)13-10/h3-5,7H,6H2,1-2H3/b4-3-,8-5+
InChIKeyIEWOHBJZZQNCJC-HMRFFJRGSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
2,5-Dipropylthiazole
CID 588151
2-Methyl-5-propylthiazole
CID 574547
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-Ethyl-2-fluoro-1,3-thiazole
CID 21030403
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54044065
2-Tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
CID 58305844
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-Ethyl-2-(trifluoromethyl)thiazole
CID 70315826
2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole (CID 143331089) is 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole is C/C(F)=C\C=C/Cc1cnc(C)s1.
What is the InChIKey of 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
The InChIKey is IEWOHBJZZQNCJC-HMRFFJRGSA-N. The full InChI is InChI=1S/C10H12FNS/c1-8(11)5-3-4-6-10-7-12-9(2)13-10/h3-5,7H,6H2,1-2H3/b4-3-,8-5+.
What are the key properties of 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole has a molecular weight of 197.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 143331089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).