5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole

C7H9F3N2O3S — CID 66641594

IUPAC5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1CCON(O)O
InChIInChI=1S/C7H9F3N2O3S/c1-4-5(2-3-15-12(13)14)16-6(11-4)7(8,9)10/h13-14H,2-3H2,1H3
InChIKeyPWBBIAFFRKNFBO-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.02
Rot. Bonds4

About 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole

5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 66641594) has the molecular formula C7H9F3N2O3S and a molecular weight of 258.22 g/mol. Its IUPAC name is 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID66641594
Molecular FormulaC7H9F3N2O3S
Molecular Weight258.22 g/mol
Exact Mass258.03
IUPAC Name5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1CCON(O)O
InChIInChI=1S/C7H9F3N2O3S/c1-4-5(2-3-15-12(13)14)16-6(11-4)7(8,9)10/h13-14H,2-3H2,1H3
InChIKeyPWBBIAFFRKNFBO-UHFFFAOYSA-N
XLogP2.02
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole (CID 66641594) is 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)sc1CCON(O)O.
What is the InChIKey of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PWBBIAFFRKNFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3S/c1-4-5(2-3-15-12(13)14)16-6(11-4)7(8,9)10/h13-14H,2-3H2,1H3.
What are the key properties of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole?
5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 258.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 66641594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).