1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine

C10H17FN2S — CID 84784897

IUPAC1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C)c(C(C)(C)F)s1
InChIInChI=1S/C10H17FN2S/c1-6-8(10(3,4)11)14-9(13-6)7(2)12-5/h7,12H,1-5H3
InChIKeyNOPBZSRJAUCTKN-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.94
Rot. Bonds3

About 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine

1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 84784897) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID84784897
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC Name1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C)c(C(C)(C)F)s1
InChIInChI=1S/C10H17FN2S/c1-6-8(10(3,4)11)14-9(13-6)7(2)12-5/h7,12H,1-5H3
InChIKeyNOPBZSRJAUCTKN-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine (CID 84784897) is 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine is CNC(C)c1nc(C)c(C(C)(C)F)s1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is NOPBZSRJAUCTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c1-6-8(10(3,4)11)14-9(13-6)7(2)12-5/h7,12H,1-5H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 216.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84784897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).