5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole

C10H12FNS — CID 166156524

IUPAC5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole
SMILESC=Cc1sc(C(C)C)nc1C(=C)F
InChIInChI=1S/C10H12FNS/c1-5-8-9(7(4)11)12-10(13-8)6(2)3/h5-6H,1,4H2,2-3H3
InChIKeyKSKFZLVJQNHQHL-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.85
Rot. Bonds3

About 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole

5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 166156524) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole
PubChem CID166156524
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole
SMILESC=Cc1sc(C(C)C)nc1C(=C)F
InChIInChI=1S/C10H12FNS/c1-5-8-9(7(4)11)12-10(13-8)6(2)3/h5-6H,1,4H2,2-3H3
InChIKeyKSKFZLVJQNHQHL-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole (CID 166156524) is 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole is C=Cc1sc(C(C)C)nc1C(=C)F.
What is the InChIKey of 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is KSKFZLVJQNHQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-5-8-9(7(4)11)12-10(13-8)6(2)3/h5-6H,1,4H2,2-3H3.
What are the key properties of 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole?
5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 197.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 166156524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).