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

C14H21F3N2OS — CID 103150651

IUPACN-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(CCOCC(F)(F)F)nc1C1CC1
InChIInChI=1S/C14H21F3N2OS/c1-9(2)18-7-11-13(10-3-4-10)19-12(21-11)5-6-20-8-14(15,16)17/h9-10,18H,3-8H2,1-2H3
InChIKeyOGTHNEXGVLKFOA-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.64
Rot. Bonds8

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

N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103150651) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103150651
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC NameN-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(CCOCC(F)(F)F)nc1C1CC1
InChIInChI=1S/C14H21F3N2OS/c1-9(2)18-7-11-13(10-3-4-10)19-12(21-11)5-6-20-8-14(15,16)17/h9-10,18H,3-8H2,1-2H3
InChIKeyOGTHNEXGVLKFOA-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103150651) is N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(CCOCC(F)(F)F)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is OGTHNEXGVLKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-9(2)18-7-11-13(10-3-4-10)19-12(21-11)5-6-20-8-14(15,16)17/h9-10,18H,3-8H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 322.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103150651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).