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

C9H15FN2S — CID 84776936

IUPAC2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(C(C)(C)F)s1
InChIInChI=1S/C9H15FN2S/c1-9(2,10)8-12-6-7(13-8)4-5-11-3/h6,11H,4-5H2,1-3H3
InChIKeyYPTZHFUACQVXOR-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.11
Rot. Bonds4

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

2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 84776936) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID84776936
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(C(C)(C)F)s1
InChIInChI=1S/C9H15FN2S/c1-9(2,10)8-12-6-7(13-8)4-5-11-3/h6,11H,4-5H2,1-3H3
InChIKeyYPTZHFUACQVXOR-UHFFFAOYSA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 84776936) is 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1cnc(C(C)(C)F)s1.
What is the InChIKey of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is YPTZHFUACQVXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-9(2,10)8-12-6-7(13-8)4-5-11-3/h6,11H,4-5H2,1-3H3.
What are the key properties of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 84776936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).