5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine

C6H7F4N3S — CID 106296479

IUPAC5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCC(F)(F)C(F)F)sn1
InChIInChI=1S/C6H7F4N3S/c7-5(8)6(9,10)2-12-4-1-3(11)13-14-4/h1,5,12H,2H2,(H2,11,13)
InChIKeyRQGQCWMPRBGTAL-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.04
Rot. Bonds4

About 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine

5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 106296479) has the molecular formula C6H7F4N3S and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID106296479
Molecular FormulaC6H7F4N3S
Molecular Weight229.20 g/mol
Exact Mass229.03
IUPAC Name5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCC(F)(F)C(F)F)sn1
InChIInChI=1S/C6H7F4N3S/c7-5(8)6(9,10)2-12-4-1-3(11)13-14-4/h1,5,12H,2H2,(H2,11,13)
InChIKeyRQGQCWMPRBGTAL-UHFFFAOYSA-N
XLogP2.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.04
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

5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360598
5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360699
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360709
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361151
5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361721
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363225
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
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365695
3-[(3-Amino-1,2-thiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649926

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine (CID 106296479) is 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCC(F)(F)C(F)F)sn1.
What is the InChIKey of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RQGQCWMPRBGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3S/c7-5(8)6(9,10)2-12-4-1-3(11)13-14-4/h1,5,12H,2H2,(H2,11,13).
What are the key properties of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine?
5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 229.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106296479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).