2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C12H18F2N2S — CID 114225793

IUPAC2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(N)CC2CCC(F)(F)C2)s1
InChIInChI=1S/C12H18F2N2S/c1-7-11(17-8(2)16-7)10(15)5-9-3-4-12(13,14)6-9/h9-10H,3-6,15H2,1-2H3
InChIKeyNPGLLEUSMAYRLL-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.59
Rot. Bonds3

About 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114225793) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114225793
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(N)CC2CCC(F)(F)C2)s1
InChIInChI=1S/C12H18F2N2S/c1-7-11(17-8(2)16-7)10(15)5-9-3-4-12(13,14)6-9/h9-10H,3-6,15H2,1-2H3
InChIKeyNPGLLEUSMAYRLL-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[[2-methyl-5-(4-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 91251350
1,2-Dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721279
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730360
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730632
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 55032903
1-[4-Methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 61392802
N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089213
5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090793
5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091143
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 63751447
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63751745

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 114225793) is 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(N)CC2CCC(F)(F)C2)s1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is NPGLLEUSMAYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-7-11(17-8(2)16-7)10(15)5-9-3-4-12(13,14)6-9/h9-10H,3-6,15H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 260.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114225793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).