(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone

C9H10FNOS — CID 131059169

IUPAC(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)C2(C)CC2F)cs1
InChIInChI=1S/C9H10FNOS/c1-5-11-6(4-13-5)8(12)9(2)3-7(9)10/h4,7H,3H2,1-2H3
InChIKeyWHTFFBHJHZPVOF-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.38
Rot. Bonds2

About (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone

(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 131059169) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID131059169
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)C2(C)CC2F)cs1
InChIInChI=1S/C9H10FNOS/c1-5-11-6(4-13-5)8(12)9(2)3-7(9)10/h4,7H,3H2,1-2H3
InChIKeyWHTFFBHJHZPVOF-UHFFFAOYSA-N
XLogP2.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]butan-1-one
CID 70665471
1-[2-(1-Fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone
CID 126498064
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
CID 130328564
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
1-[2-(Trifluoromethyl)-1,3-thiazol-4-yl]propan-1-one
CID 146232258
2-Butyl-1-(2-fluoro-1,3-thiazol-4-yl)-2-methylnonan-1-one
CID 146632982
2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
2-Methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-one
CID 91571440
1-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 84770359
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 105106853
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
CID 105123358
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butane-1,3-dione
CID 116202050

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 131059169) is (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)C2(C)CC2F)cs1.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is WHTFFBHJHZPVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-5-11-6(4-13-5)8(12)9(2)3-7(9)10/h4,7H,3H2,1-2H3.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131059169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).