1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine

C7H11FN2S — CID 131001011

IUPAC1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine
SMILESCC(C)(N)C(F)c1ccns1
InChIInChI=1S/C7H11FN2S/c1-7(2,9)6(8)5-3-4-10-11-5/h3-4,6H,9H2,1-2H3
InChIKeyRYQFDNFLZGARHM-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.89
Rot. Bonds2

About 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine

1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine (PubChem CID 131001011) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine
PubChem CID131001011
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine
SMILESCC(C)(N)C(F)c1ccns1
InChIInChI=1S/C7H11FN2S/c1-7(2,9)6(8)5-3-4-10-11-5/h3-4,6H,9H2,1-2H3
InChIKeyRYQFDNFLZGARHM-UHFFFAOYSA-N
XLogP1.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine (CID 131001011) is 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine is CC(C)(N)C(F)c1ccns1.
What is the InChIKey of 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine?
The InChIKey is RYQFDNFLZGARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-7(2,9)6(8)5-3-4-10-11-5/h3-4,6H,9H2,1-2H3.
What are the key properties of 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine?
1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine has a molecular weight of 174.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 131001011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).