N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C13H20F4N2OS — CID 103476020

IUPACN-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(COCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C13H20F4N2OS/c1-4-5-18-8(2)11-9(3)19-10(21-11)6-20-7-13(16,17)12(14)15/h8,12,18H,4-7H2,1-3H3
InChIKeyZJOSKFQGNIQVFI-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.93
Rot. Bonds9

About N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 103476020) has the molecular formula C13H20F4N2OS and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID103476020
Molecular FormulaC13H20F4N2OS
Molecular Weight328.38 g/mol
Exact Mass328.12
IUPAC NameN-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(COCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C13H20F4N2OS/c1-4-5-18-8(2)11-9(3)19-10(21-11)6-20-7-13(16,17)12(14)15/h8,12,18H,4-7H2,1-3H3
InChIKeyZJOSKFQGNIQVFI-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.93
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 N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 103476020) is N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(COCC(F)(F)C(F)F)nc1C.
What is the InChIKey of N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is ZJOSKFQGNIQVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4N2OS/c1-4-5-18-8(2)11-9(3)19-10(21-11)6-20-7-13(16,17)12(14)15/h8,12,18H,4-7H2,1-3H3.
What are the key properties of N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 328.38 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103476020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).