2-tert-butyl-5-fluoro-1,3-thiazole

C7H10FNS — CID 84650911

IUPAC2-tert-butyl-5-fluoro-1,3-thiazole
SMILESCC(C)(C)c1ncc(F)s1
InChIInChI=1S/C7H10FNS/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3
InChIKeyOMUWWLOPQPABCX-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.58
Rot. Bonds

About 2-tert-butyl-5-fluoro-1,3-thiazole

2-tert-butyl-5-fluoro-1,3-thiazole (PubChem CID 84650911) has the molecular formula C7H10FNS and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-1,3-thiazole
PubChem CID84650911
Molecular FormulaC7H10FNS
Molecular Weight159.23 g/mol
Exact Mass159.05
IUPAC Name2-tert-butyl-5-fluoro-1,3-thiazole
SMILESCC(C)(C)c1ncc(F)s1
InChIInChI=1S/C7H10FNS/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3
InChIKeyOMUWWLOPQPABCX-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-fluoro-1,3-thiazole (CID 84650911) is 2-tert-butyl-5-fluoro-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-fluoro-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-fluoro-1,3-thiazole is CC(C)(C)c1ncc(F)s1.
What is the InChIKey of 2-tert-butyl-5-fluoro-1,3-thiazole?
The InChIKey is OMUWWLOPQPABCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3.
What are the key properties of 2-tert-butyl-5-fluoro-1,3-thiazole?
2-tert-butyl-5-fluoro-1,3-thiazole has a molecular weight of 159.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-1,3-thiazole is sourced from PubChem (CID 84650911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).