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

C8H12F3N3S — CID 103364979

IUPAC5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCCCC(F)(F)F)sn1
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-13-7-5-6(12)14-15-7/h5,13H,1-4H2,(H2,12,14)
InChIKeyRSNHDNOZXTUIQE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.87
Rot. Bonds5

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

5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364979) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
PubChem CID103364979
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCCCC(F)(F)F)sn1
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-13-7-5-6(12)14-15-7/h5,13H,1-4H2,(H2,12,14)
InChIKeyRSNHDNOZXTUIQE-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_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-[3-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363231
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363237
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
4-methyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364977

Frequently Asked Questions

What is the IUPAC name of 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine (CID 103364979) is 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCCCCC(F)(F)F)sn1.
What is the InChIKey of 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RSNHDNOZXTUIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-13-7-5-6(12)14-15-7/h5,13H,1-4H2,(H2,12,14).
What are the key properties of 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 239.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).