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

C12H18F2N2OS — CID 103151329

IUPACN-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESFC(F)COCCc1nc(CCNC2CC2)cs1
InChIInChI=1S/C12H18F2N2OS/c13-11(14)7-17-6-4-12-16-10(8-18-12)3-5-15-9-1-2-9/h8-9,11,15H,1-7H2
InChIKeyQOHXOZJXRQJRNK-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.26
Rot. Bonds9

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

N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine (PubChem CID 103151329) has the molecular formula C12H18F2N2OS and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine
PubChem CID103151329
Molecular FormulaC12H18F2N2OS
Molecular Weight276.35 g/mol
Exact Mass276.11
IUPAC NameN-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESFC(F)COCCc1nc(CCNC2CC2)cs1
InChIInChI=1S/C12H18F2N2OS/c13-11(14)7-17-6-4-12-16-10(8-18-12)3-5-15-9-1-2-9/h8-9,11,15H,1-7H2
InChIKeyQOHXOZJXRQJRNK-UHFFFAOYSA-N
XLogP2.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.26
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-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine (CID 103151329) is N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine is FC(F)COCCc1nc(CCNC2CC2)cs1.
What is the InChIKey of N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is QOHXOZJXRQJRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2OS/c13-11(14)7-17-6-4-12-16-10(8-18-12)3-5-15-9-1-2-9/h8-9,11,15H,1-7H2.
What are the key properties of N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 276.35 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 103151329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).