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

C10H16F4N2S — CID 106294922

IUPAC5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C10H16F4N2S/c1-6(2)3-7-4-15-9(17-7)16-5-10(13,14)8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyNDGNGSKNNBSEKR-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.99
Rot. Bonds5

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

5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294922) has the molecular formula C10H16F4N2S and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294922
Molecular FormulaC10H16F4N2S
Molecular Weight272.31 g/mol
Exact Mass272.10
IUPAC Name5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C10H16F4N2S/c1-6(2)3-7-4-15-9(17-7)16-5-10(13,14)8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyNDGNGSKNNBSEKR-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294922) is 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCC(F)(F)C(F)F)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NDGNGSKNNBSEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2S/c1-6(2)3-7-4-15-9(17-7)16-5-10(13,14)8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 272.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).