ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole

C7H12FNS — CID 145093658

IUPACethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole
SMILESC=C(F)C1=CNCS1.CC
InChIInChI=1S/C5H6FNS.C2H6/c1-4(6)5-2-7-3-8-5;1-2/h2,7H,1,3H2;1-2H3
InChIKeyIAMNPJAGYZAMGM-UHFFFAOYSA-N
MW161.24 g/mol
LogP2.63
Rot. Bonds1

About ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole

ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole (PubChem CID 145093658) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole
PubChem CID145093658
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Nameethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole
SMILESC=C(F)C1=CNCS1.CC
InChIInChI=1S/C5H6FNS.C2H6/c1-4(6)5-2-7-3-8-5;1-2/h2,7H,1,3H2;1-2H3
InChIKeyIAMNPJAGYZAMGM-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole (CID 145093658) is ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole is C=C(F)C1=CNCS1.CC.
What is the InChIKey of ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is IAMNPJAGYZAMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNS.C2H6/c1-4(6)5-2-7-3-8-5;1-2/h2,7H,1,3H2;1-2H3.
What are the key properties of ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole?
ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 161.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-fluoroethenyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 145093658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).