1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine

C8H10F2N2S — CID 105456187

IUPAC1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine
SMILESCC(N)c1nc2c(s1)C(F)(F)CC2
InChIInChI=1S/C8H10F2N2S/c1-4(11)7-12-5-2-3-8(9,10)6(5)13-7/h4H,2-3,11H2,1H3
InChIKeyVJKDKHXJYFAHNE-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.20
Rot. Bonds1

About 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine

1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine (PubChem CID 105456187) has the molecular formula C8H10F2N2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine
PubChem CID105456187
Molecular FormulaC8H10F2N2S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine
SMILESCC(N)c1nc2c(s1)C(F)(F)CC2
InChIInChI=1S/C8H10F2N2S/c1-4(11)7-12-5-2-3-8(9,10)6(5)13-7/h4H,2-3,11H2,1H3
InChIKeyVJKDKHXJYFAHNE-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4H,5H,6H-cyclopenta(d)(1,3)thiazole
CID 21529489
2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-amine
CID 73012450
1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-amine
CID 24261659
4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 89140365
[5-Ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 105463808
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
CID 24274467
2-[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 46835628
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755098
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755102
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757429
2-[4-Methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 79154156
2-[4-Methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964428

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The IUPAC name of 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine (CID 105456187) is 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine is CC(N)c1nc2c(s1)C(F)(F)CC2.
What is the InChIKey of 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The InChIKey is VJKDKHXJYFAHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2S/c1-4(11)7-12-5-2-3-8(9,10)6(5)13-7/h4H,2-3,11H2,1H3.
What are the key properties of 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine?
1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine has a molecular weight of 204.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)ethanamine is sourced from PubChem (CID 105456187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).