5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole

C7H12FNS — CID 146392738

IUPAC5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1SC(F)=CN1C
InChIInChI=1S/C7H12FNS/c1-5(2)7-9(3)4-6(8)10-7/h4-5,7H,1-3H3
InChIKeyRSFRKBFYXBJJAQ-UHFFFAOYSA-N
MW161.24 g/mol
LogP2.42
Rot. Bonds1

About 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole

5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole (PubChem CID 146392738) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole
PubChem CID146392738
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Name5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1SC(F)=CN1C
InChIInChI=1S/C7H12FNS/c1-5(2)7-9(3)4-6(8)10-7/h4-5,7H,1-3H3
InChIKeyRSFRKBFYXBJJAQ-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole (CID 146392738) is 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole is CC(C)C1SC(F)=CN1C.
What is the InChIKey of 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole?
The InChIKey is RSFRKBFYXBJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c1-5(2)7-9(3)4-6(8)10-7/h4-5,7H,1-3H3.
What are the key properties of 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole?
5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole has a molecular weight of 161.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 146392738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).