1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone

C12H16F2N2OS — CID 114225576

IUPAC1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone
SMILESNCCc1nc(C(=O)CC2CCC(F)(F)C2)cs1
InChIInChI=1S/C12H16F2N2OS/c13-12(14)3-1-8(6-12)5-10(17)9-7-18-11(16-9)2-4-15/h7-8H,1-6,15H2
InChIKeyUVYASMWWTDQKAO-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone

1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone (PubChem CID 114225576) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone
PubChem CID114225576
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone
SMILESNCCc1nc(C(=O)CC2CCC(F)(F)C2)cs1
InChIInChI=1S/C12H16F2N2OS/c13-12(14)3-1-8(6-12)5-10(17)9-7-18-11(16-9)2-4-15/h7-8H,1-6,15H2
InChIKeyUVYASMWWTDQKAO-UHFFFAOYSA-N
XLogP2.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
CID 130487423
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
1-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120629970
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]pent-4-yn-1-one
CID 116585557
2-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 66390543
cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66373299
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758
2-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 105417476
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone (CID 114225576) is 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone is NCCc1nc(C(=O)CC2CCC(F)(F)C2)cs1.
What is the InChIKey of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone?
The InChIKey is UVYASMWWTDQKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c13-12(14)3-1-8(6-12)5-10(17)9-7-18-11(16-9)2-4-15/h7-8H,1-6,15H2.
What are the key properties of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone?
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone has a molecular weight of 274.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone is sourced from PubChem (CID 114225576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).