2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid

C7H6F4N2O2S — CID 106296014

IUPAC2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H6F4N2O2S/c8-5(9)7(10,11)2-12-6-13-3(1-16-6)4(14)15/h1,5H,2H2,(H,12,13)(H,14,15)
InChIKeyPKVCUYVIVVPENJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.15
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid

2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106296014) has the molecular formula C7H6F4N2O2S and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID106296014
Molecular FormulaC7H6F4N2O2S
Molecular Weight258.20 g/mol
Exact Mass258.01
IUPAC Name2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H6F4N2O2S/c8-5(9)7(10,11)2-12-6-13-3(1-16-6)4(14)15/h1,5H,2H2,(H,12,13)(H,14,15)
InChIKeyPKVCUYVIVVPENJ-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.15
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

methyl 2-[2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazol-4-yl]acetate
CID 106296025
2-[2-(2,2,3,3-tetrafluoropropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 106294835
2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295661
6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295667
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
2-[(2-methyl-3-methylsulfanylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568567
2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80568324
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 130925805
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylic acid
CID 106006405
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
CID 114169680

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid (CID 106296014) is 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PKVCUYVIVVPENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2S/c8-5(9)7(10,11)2-12-6-13-3(1-16-6)4(14)15/h1,5H,2H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 258.20 g/mol, XLogP of 2.15, 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)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106296014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).