N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine

C9H11F5N2OS — CID 79774979

IUPACN-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C9H11F5N2OS/c1-2-15-7-16-3-6(18-7)4-17-5-8(10,11)9(12,13)14/h3H,2,4-5H2,1H3,(H,15,16)
InChIKeyHVIZOAAQNBIQSB-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.29
Rot. Bonds6

About N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine

N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774979) has the molecular formula C9H11F5N2OS and a molecular weight of 290.26 g/mol. Its IUPAC name is N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine
PubChem CID79774979
Molecular FormulaC9H11F5N2OS
Molecular Weight290.26 g/mol
Exact Mass290.05
IUPAC NameN-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C9H11F5N2OS/c1-2-15-7-16-3-6(18-7)4-17-5-8(10,11)9(12,13)14/h3H,2,4-5H2,1H3,(H,15,16)
InChIKeyHVIZOAAQNBIQSB-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Methoxymethyl)-1,3-thiazol-2-amine
CID 20664854
Methyl 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylate
CID 115409396
[(2-Acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate
CID 53492853
[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
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 N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine (CID 79774979) is N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine is CCNc1ncc(COCC(F)(F)C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is HVIZOAAQNBIQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5N2OS/c1-2-15-7-16-3-6(18-7)4-17-5-8(10,11)9(12,13)14/h3H,2,4-5H2,1H3,(H,15,16).
What are the key properties of N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 290.26 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).