5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine

C7H8F4N2OS — CID 79775135

IUPAC5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C7H8F4N2OS/c8-5(9)7(10,11)3-14-2-4-1-13-6(12)15-4/h1,5H,2-3H2,(H2,12,13)
InChIKeyXZHIGYDHURRAIW-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.14
Rot. Bonds5

About 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine

5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine (PubChem CID 79775135) has the molecular formula C7H8F4N2OS and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine
PubChem CID79775135
Molecular FormulaC7H8F4N2OS
Molecular Weight244.21 g/mol
Exact Mass244.03
IUPAC Name5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C7H8F4N2OS/c8-5(9)7(10,11)3-14-2-4-1-13-6(12)15-4/h1,5H,2-3H2,(H2,12,13)
InChIKeyXZHIGYDHURRAIW-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Methoxymethyl)-1,3-thiazol-2-amine
CID 20664854
2-Chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole
CID 79764113
[5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764294
[5-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764415
[5-(2,2,3,3,3-Pentafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764569
[5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765559
2-Chloro-5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 79765778
5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774189
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774190
N-propyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774284
5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774515
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774516

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine (CID 79775135) is 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine is Nc1ncc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is XZHIGYDHURRAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2OS/c8-5(9)7(10,11)3-14-2-4-1-13-6(12)15-4/h1,5H,2-3H2,(H2,12,13).
What are the key properties of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine?
5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 244.21 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79775135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).