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

C15H26F2N2OS — CID 103150611

IUPACN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(CCOCC(F)F)nc1C(C)(C)C
InChIInChI=1S/C15H26F2N2OS/c1-10(2)18-8-11-14(15(3,4)5)19-13(21-11)6-7-20-9-12(16)17/h10,12,18H,6-9H2,1-5H3
InChIKeyKYXODEMNGADBAU-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.76
Rot. Bonds8

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

N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103150611) has the molecular formula C15H26F2N2OS and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103150611
Molecular FormulaC15H26F2N2OS
Molecular Weight320.45 g/mol
Exact Mass320.17
IUPAC NameN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(CCOCC(F)F)nc1C(C)(C)C
InChIInChI=1S/C15H26F2N2OS/c1-10(2)18-8-11-14(15(3,4)5)19-13(21-11)6-7-20-9-12(16)17/h10,12,18H,6-9H2,1-5H3
InChIKeyKYXODEMNGADBAU-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.76
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-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103150611) is N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(CCOCC(F)F)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is KYXODEMNGADBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2OS/c1-10(2)18-8-11-14(15(3,4)5)19-13(21-11)6-7-20-9-12(16)17/h10,12,18H,6-9H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 320.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103150611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).