2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C10H10F4N2O2S — CID 106296034

IUPAC2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESO=C(O)C1CCc2sc(NCC(F)(F)C(F)F)nc21
InChIInChI=1S/C10H10F4N2O2S/c11-8(12)10(13,14)3-15-9-16-6-4(7(17)18)1-2-5(6)19-9/h4,8H,1-3H2,(H,15,16)(H,17,18)
InChIKeyMZWGVJBUXKZLEP-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.57
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 106296034) has the molecular formula C10H10F4N2O2S and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID106296034
Molecular FormulaC10H10F4N2O2S
Molecular Weight298.26 g/mol
Exact Mass298.04
IUPAC Name2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESO=C(O)C1CCc2sc(NCC(F)(F)C(F)F)nc21
InChIInChI=1S/C10H10F4N2O2S/c11-8(12)10(13,14)3-15-9-16-6-4(7(17)18)1-2-5(6)19-9/h4,8H,1-3H2,(H,15,16)(H,17,18)
InChIKeyMZWGVJBUXKZLEP-UHFFFAOYSA-N
XLogP2.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114162848
2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 104592490
2-[2-(dimethylsulfamoyl)ethylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106343051
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395741
2-[(2-methylthiolan-2-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395819
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395760
2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395742
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
2-(1H-imidazol-5-ylmethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 113395811
2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 106296014
2-[(3-methoxyoxolan-3-yl)methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 104766962
2-[(2-cyclohexylacetyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 59681868

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 106296034) is 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is O=C(O)C1CCc2sc(NCC(F)(F)C(F)F)nc21.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is MZWGVJBUXKZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2S/c11-8(12)10(13,14)3-15-9-16-6-4(7(17)18)1-2-5(6)19-9/h4,8H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 106296034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).