N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine

C9H14F2N2OS — CID 103081420

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCOCC(F)F)sc1C
InChIInChI=1S/C9H14F2N2OS/c1-6-7(2)15-9(13-6)12-3-4-14-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13)
InChIKeyZEHPRRJFAJPDJZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 103081420) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID103081420
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCOCC(F)F)sc1C
InChIInChI=1S/C9H14F2N2OS/c1-6-7(2)15-9(13-6)12-3-4-14-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13)
InChIKeyZEHPRRJFAJPDJZ-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.45
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-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 103081420) is N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCCOCC(F)F)sc1C.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ZEHPRRJFAJPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-6-7(2)15-9(13-6)12-3-4-14-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 236.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103081420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).