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

C15H24F2N2OS — CID 103150612

IUPACN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(CCOCC(F)F)sc1CNC1CC1
InChIInChI=1S/C15H24F2N2OS/c1-15(2,3)14-11(8-18-10-4-5-10)21-13(19-14)6-7-20-9-12(16)17/h10,12,18H,4-9H2,1-3H3
InChIKeyDFHLXUZPSNLAEP-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.52
Rot. Bonds8

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

N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 103150612) has the molecular formula C15H24F2N2OS and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID103150612
Molecular FormulaC15H24F2N2OS
Molecular Weight318.43 g/mol
Exact Mass318.16
IUPAC NameN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(CCOCC(F)F)sc1CNC1CC1
InChIInChI=1S/C15H24F2N2OS/c1-15(2,3)14-11(8-18-10-4-5-10)21-13(19-14)6-7-20-9-12(16)17/h10,12,18H,4-9H2,1-3H3
InChIKeyDFHLXUZPSNLAEP-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.52
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]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 103150612) is N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)(C)c1nc(CCOCC(F)F)sc1CNC1CC1.
What is the InChIKey of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DFHLXUZPSNLAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2OS/c1-15(2,3)14-11(8-18-10-4-5-10)21-13(19-14)6-7-20-9-12(16)17/h10,12,18H,4-9H2,1-3H3.
What are the key properties of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 318.43 g/mol, XLogP of 3.52, 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]cyclopropanamine is sourced from PubChem (CID 103150612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).