5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine

C7H10F3N3OS — CID 103361721

IUPAC5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCOCC(F)(F)F)sn1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)4-14-2-1-12-6-3-5(11)13-15-6/h3,12H,1-2,4H2,(H2,11,13)
InChIKeyOJJCMHVOGAHGPP-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.72
Rot. Bonds5

About 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine

5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361721) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361721
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCOCC(F)(F)F)sn1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)4-14-2-1-12-6-3-5(11)13-15-6/h3,12H,1-2,4H2,(H2,11,13)
InChIKeyOJJCMHVOGAHGPP-UHFFFAOYSA-N
XLogP1.72
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361151
4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361718
5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 103364768
5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364953
5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364979
3-[(3-Amino-1,2-thiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649926
3-[(3-Amino-1,2-thiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 105649948
5-N-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 105923621
5-N-[2-(2,2-difluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 105923643
5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942324
3-[(3-Amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 106174725
5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine
CID 106296479

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine (CID 103361721) is 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine is Nc1cc(NCCOCC(F)(F)F)sn1.
What is the InChIKey of 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is OJJCMHVOGAHGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c8-7(9,10)4-14-2-1-12-6-3-5(11)13-15-6/h3,12H,1-2,4H2,(H2,11,13).
What are the key properties of 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 241.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).