2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole

C10H10FNS — CID 123527995

IUPAC2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2C=CC(F)=CC2)s1
InChIInChI=1S/C10H10FNS/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2,4-6,8H,3H2,1H3
InChIKeyPLGZLKGSNBOYHV-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole

2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole (PubChem CID 123527995) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
PubChem CID123527995
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2C=CC(F)=CC2)s1
InChIInChI=1S/C10H10FNS/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2,4-6,8H,3H2,1H3
InChIKeyPLGZLKGSNBOYHV-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-Isobutyl-5-methylthiazole
CID 574811
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
5-Propan-2-yl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104469986
2-(Fluoromethyl)-5-propan-2-yl-1,3-thiazole
CID 122642797
2-(5-Fluorohept-3-en-2-yl)-1,3-thiazole
CID 124012312
2-(4-Ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole
CID 129268017
2-(4-fluorocyclohexa-2,4-dien-1-yl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanimidamide
CID 135269122
Ethane;5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
CID 142277216
5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole
CID 142782901
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
CID 143331081
5-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
CID 143331089

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole (CID 123527995) is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole is Cc1cnc(C2C=CC(F)=CC2)s1.
What is the InChIKey of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
The InChIKey is PLGZLKGSNBOYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2,4-6,8H,3H2,1H3.
What are the key properties of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole has a molecular weight of 195.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 123527995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).