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

C10H11F2NOS — CID 130909583

IUPAC(3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)C2CCC(F)(F)C2)cs1
InChIInChI=1S/C10H11F2NOS/c1-6-13-8(5-15-6)9(14)7-2-3-10(11,12)4-7/h5,7H,2-4H2,1H3
InChIKeyHGHZIUAHRNYQHX-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.07
Rot. Bonds2

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

(3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 130909583) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID130909583
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name(3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)C2CCC(F)(F)C2)cs1
InChIInChI=1S/C10H11F2NOS/c1-6-13-8(5-15-6)9(14)7-2-3-10(11,12)4-7/h5,7H,2-4H2,1H3
InChIKeyHGHZIUAHRNYQHX-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.07
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-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
2-Hexyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]octan-1-one
CID 138627846
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
3-[2-(Trifluoromethyl)-1,3-thiazol-4-yl]cyclopentan-1-one
CID 153570879
Ethyl 4-(3-ethyl-5,5-difluoro-7-methyloctanoyl)-1,3-thiazole-2-carboxylate
CID 163745079
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 166045434
(2-Bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 166045451
2-Methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-one
CID 91571440
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 105106853

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 130909583) is (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)C2CCC(F)(F)C2)cs1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is HGHZIUAHRNYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-6-13-8(5-15-6)9(14)7-2-3-10(11,12)4-7/h5,7H,2-4H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 231.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130909583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).