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

C7H10FNS — CID 22949810

IUPAC2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CF)n1
InChIInChI=1S/C7H10FNS/c1-5(2)6-4-10-7(3-8)9-6/h4-5H,3H2,1-2H3
InChIKeyBLISNNJPFSHIAB-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.74
Rot. Bonds2

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

2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 22949810) has the molecular formula C7H10FNS and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
PubChem CID22949810
Molecular FormulaC7H10FNS
Molecular Weight159.23 g/mol
Exact Mass159.05
IUPAC Name2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CF)n1
InChIInChI=1S/C7H10FNS/c1-5(2)6-4-10-7(3-8)9-6/h4-5H,3H2,1-2H3
InChIKeyBLISNNJPFSHIAB-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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Related Compounds

2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 116969697
2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
CID 70064429
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82066849

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole (CID 22949810) is 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is BLISNNJPFSHIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS/c1-5(2)6-4-10-7(3-8)9-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole?
2-(fluoromethyl)-4-propan-2-yl-1,3-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 2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 22949810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).