1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C12H18F4N2OS — CID 103475327

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C12H18F4N2OS/c1-7-8(2)20-10(18-7)4-9(17-3)5-19-6-12(15,16)11(13)14/h9,11,17H,4-6H2,1-3H3
InChIKeyOKUBNBMPHYJXNP-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.81
Rot. Bonds8

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475327) has the molecular formula C12H18F4N2OS and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475327
Molecular FormulaC12H18F4N2OS
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C12H18F4N2OS/c1-7-8(2)20-10(18-7)4-9(17-3)5-19-6-12(15,16)11(13)14/h9,11,17H,4-6H2,1-3H3
InChIKeyOKUBNBMPHYJXNP-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475327) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CNC(COCC(F)(F)C(F)F)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is OKUBNBMPHYJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4N2OS/c1-7-8(2)20-10(18-7)4-9(17-3)5-19-6-12(15,16)11(13)14/h9,11,17H,4-6H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 314.35 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).