[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine

C10H16F2N2OS — CID 103150576

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOCC(F)F)sc1CN
InChIInChI=1S/C10H16F2N2OS/c1-2-7-8(5-13)16-10(14-7)3-4-15-6-9(11)12/h9H,2-6,13H2,1H3
InChIKeyCMEKPXGNKPMJQI-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.99
Rot. Bonds7

About [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine

[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine (PubChem CID 103150576) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
PubChem CID103150576
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(CCOCC(F)F)sc1CN
InChIInChI=1S/C10H16F2N2OS/c1-2-7-8(5-13)16-10(14-7)3-4-15-6-9(11)12/h9H,2-6,13H2,1H3
InChIKeyCMEKPXGNKPMJQI-UHFFFAOYSA-N
XLogP1.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.99
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 [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine (CID 103150576) is [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine is CCc1nc(CCOCC(F)F)sc1CN.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is CMEKPXGNKPMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-2-7-8(5-13)16-10(14-7)3-4-15-6-9(11)12/h9H,2-6,13H2,1H3.
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103150576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).