N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine

C9H14F2N2S — CID 61193229

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine
SMILESCc1nc(C)c(C(C)NCC(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-5(12-4-8(10)11)9-6(2)13-7(3)14-9/h5,8,12H,4H2,1-3H3
InChIKeyXPKLTCYKWGAFBY-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.68
Rot. Bonds4

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine (PubChem CID 61193229) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine
PubChem CID61193229
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine
SMILESCc1nc(C)c(C(C)NCC(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-5(12-4-8(10)11)9-6(2)13-7(3)14-9/h5,8,12H,4H2,1-3H3
InChIKeyXPKLTCYKWGAFBY-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine (CID 61193229) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine is Cc1nc(C)c(C(C)NCC(F)F)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine?
The InChIKey is XPKLTCYKWGAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2S/c1-5(12-4-8(10)11)9-6(2)13-7(3)14-9/h5,8,12H,4H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine has a molecular weight of 220.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 61193229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).