3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole

C7H10FNS — CID 177061640

IUPAC3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole
SMILESCC(C)c1csnc1CF
InChIInChI=1S/C7H10FNS/c1-5(2)6-4-10-9-7(6)3-8/h4-5H,3H2,1-2H3
InChIKeyZEHNOOOWHIWJTA-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.74
Rot. Bonds2

About 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole

3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole (PubChem CID 177061640) has the molecular formula C7H10FNS and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole
PubChem CID177061640
Molecular FormulaC7H10FNS
Molecular Weight159.23 g/mol
Exact Mass159.05
IUPAC Name3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole
SMILESCC(C)c1csnc1CF
InChIInChI=1S/C7H10FNS/c1-5(2)6-4-10-9-7(6)3-8/h4-5H,3H2,1-2H3
InChIKeyZEHNOOOWHIWJTA-UHFFFAOYSA-N
XLogP2.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole?
The IUPAC name of 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole (CID 177061640) is 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole?
The canonical SMILES for 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole is CC(C)c1csnc1CF.
What is the InChIKey of 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole?
The InChIKey is ZEHNOOOWHIWJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS/c1-5(2)6-4-10-9-7(6)3-8/h4-5H,3H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole?
3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole has a molecular weight of 159.23 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 177061640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).