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

C13H20F4N2OS — CID 103475716

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)C(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H20F4N2OS/c1-4-18-10(5-11-19-8(2)9(3)21-11)6-20-7-13(16,17)12(14)15/h10,12,18H,4-7H2,1-3H3
InChIKeyOWFJGKVQWPRXDW-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.20
Rot. Bonds9

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475716) has the molecular formula C13H20F4N2OS and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475716
Molecular FormulaC13H20F4N2OS
Molecular Weight328.38 g/mol
Exact Mass328.12
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)C(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H20F4N2OS/c1-4-18-10(5-11-19-8(2)9(3)21-11)6-20-7-13(16,17)12(14)15/h10,12,18H,4-7H2,1-3H3
InChIKeyOWFJGKVQWPRXDW-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475716) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-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-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CCNC(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-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is OWFJGKVQWPRXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4N2OS/c1-4-18-10(5-11-19-8(2)9(3)21-11)6-20-7-13(16,17)12(14)15/h10,12,18H,4-7H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 328.38 g/mol, XLogP of 3.20, 9 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-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).