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

C11H16F2N2OS — CID 103150113

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)COCCc1ncc(CNC2CC2)s1
InChIInChI=1S/C11H16F2N2OS/c12-10(13)7-16-4-3-11-15-6-9(17-11)5-14-8-1-2-8/h6,8,10,14H,1-5,7H2
InChIKeyYWRQWUXVBSLGPK-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.22
Rot. Bonds8

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 103150113) has the molecular formula C11H16F2N2OS and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID103150113
Molecular FormulaC11H16F2N2OS
Molecular Weight262.32 g/mol
Exact Mass262.10
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)COCCc1ncc(CNC2CC2)s1
InChIInChI=1S/C11H16F2N2OS/c12-10(13)7-16-4-3-11-15-6-9(17-11)5-14-8-1-2-8/h6,8,10,14H,1-5,7H2
InChIKeyYWRQWUXVBSLGPK-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.22
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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Related Compounds

N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 60983252
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61392600
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61392601
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61392602
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61392603
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61686940
2-methyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62403408
3,3,3-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63226196
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226610
N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827313

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 103150113) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is FC(F)COCCc1ncc(CNC2CC2)s1.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YWRQWUXVBSLGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2OS/c12-10(13)7-16-4-3-11-15-6-9(17-11)5-14-8-1-2-8/h6,8,10,14H,1-5,7H2.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 262.32 g/mol, XLogP of 2.22, 8 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-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103150113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).