3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole

C8H12FNS — CID 138538216

IUPAC3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole
SMILESCCc1cc(C(C)(C)F)sn1
InChIInChI=1S/C8H12FNS/c1-4-6-5-7(11-10-6)8(2,3)9/h5H,4H2,1-3H3
InChIKeyFCLOWVCBEIJSRZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.91
Rot. Bonds2

About 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole

3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole (PubChem CID 138538216) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole
PubChem CID138538216
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole
SMILESCCc1cc(C(C)(C)F)sn1
InChIInChI=1S/C8H12FNS/c1-4-6-5-7(11-10-6)8(2,3)9/h5H,4H2,1-3H3
InChIKeyFCLOWVCBEIJSRZ-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole?
The IUPAC name of 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole (CID 138538216) is 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole?
The canonical SMILES for 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole is CCc1cc(C(C)(C)F)sn1.
What is the InChIKey of 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole?
The InChIKey is FCLOWVCBEIJSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-4-6-5-7(11-10-6)8(2,3)9/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole?
3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole has a molecular weight of 173.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole is sourced from PubChem (CID 138538216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).