N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine

C12H18F4N2OS — CID 103475939

IUPACN-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(COCC(F)(F)C(F)F)Cc1nccs1
InChIInChI=1S/C12H18F4N2OS/c1-2-3-17-9(6-10-18-4-5-20-10)7-19-8-12(15,16)11(13)14/h4-5,9,11,17H,2-3,6-8H2,1H3
InChIKeyRBSPRBPFHJNXFA-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.97
Rot. Bonds10

About N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103475939) has the molecular formula C12H18F4N2OS and a molecular weight of 314.35 g/mol. Its IUPAC name is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103475939
Molecular FormulaC12H18F4N2OS
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(COCC(F)(F)C(F)F)Cc1nccs1
InChIInChI=1S/C12H18F4N2OS/c1-2-3-17-9(6-10-18-4-5-20-10)7-19-8-12(15,16)11(13)14/h4-5,9,11,17H,2-3,6-8H2,1H3
InChIKeyRBSPRBPFHJNXFA-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid
CID 161244950
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490393
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)propylamino]propan-2-ol
CID 64480579
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480833
1-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 64481599
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64481834
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 64482001
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-2-ol
CID 64482622
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65803858
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803859
1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 102869534
N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 102978104

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine (CID 103475939) is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine is CCCNC(COCC(F)(F)C(F)F)Cc1nccs1.
What is the InChIKey of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is RBSPRBPFHJNXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4N2OS/c1-2-3-17-9(6-10-18-4-5-20-10)7-19-8-12(15,16)11(13)14/h4-5,9,11,17H,2-3,6-8H2,1H3.
What are the key properties of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine?
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 314.35 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103475939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).