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

C9H14F4N2S — CID 106294905

IUPAC5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C9H14F4N2S/c1-5(2)6-3-14-8(16-6)15-4-9(12,13)7(10)11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGLKIDKIFYZZXQY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.60
Rot. Bonds4

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

5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294905) has the molecular formula C9H14F4N2S and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294905
Molecular FormulaC9H14F4N2S
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C9H14F4N2S/c1-5(2)6-3-14-8(16-6)15-4-9(12,13)7(10)11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGLKIDKIFYZZXQY-UHFFFAOYSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.60
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-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035053
5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036111
CID 71758765
CID 71758765
5-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943221
5-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943224
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943226
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
4-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943249
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943251

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294905) is 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CN=C(NCC(F)(F)C(F)F)S1.
What is the InChIKey of 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GLKIDKIFYZZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2S/c1-5(2)6-3-14-8(16-6)15-4-9(12,13)7(10)11/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).