5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H12F4N2S — CID 106294921

IUPAC5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)C(F)(F)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H12F4N2S/c10-7(11)9(12,13)4-15-8-14-3-6(16-8)5-1-2-5/h5-7H,1-4H2,(H,14,15)
InChIKeyJCZRUTDGUUHSQM-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.36
Rot. Bonds4

About 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294921) has the molecular formula C9H12F4N2S and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294921
Molecular FormulaC9H12F4N2S
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC Name5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)C(F)(F)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H12F4N2S/c10-7(11)9(12,13)4-15-8-14-3-6(16-8)5-1-2-5/h5-7H,1-4H2,(H,14,15)
InChIKeyJCZRUTDGUUHSQM-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296749
5-cyclopropyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297490
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-cyclopropyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219339
5-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106284857
5-pentan-3-yl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285251
N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285500
5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285501
5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285502
5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106294893
5-ethyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106294901
5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106294905

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294921) is 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)C(F)(F)CNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JCZRUTDGUUHSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2S/c10-7(11)9(12,13)4-15-8-14-3-6(16-8)5-1-2-5/h5-7H,1-4H2,(H,14,15).
What are the key properties of 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).