N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine

C9H15FN2OS — CID 174062692

IUPACN-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine
SMILESCC(OCCF)[C@@H](C)Nc1cncs1
InChIInChI=1S/C9H15FN2OS/c1-7(8(2)13-4-3-10)12-9-5-11-6-14-9/h5-8,12H,3-4H2,1-2H3/t7-,8?/m1/s1
InChIKeyQZWMUJIFVXGHPI-GVHYBUMESA-N
MW218.30 g/mol
LogP2.32
Rot. Bonds6

About N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine

N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine (PubChem CID 174062692) has the molecular formula C9H15FN2OS and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine
PubChem CID174062692
Molecular FormulaC9H15FN2OS
Molecular Weight218.30 g/mol
Exact Mass218.09
IUPAC NameN-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine
SMILESCC(OCCF)[C@@H](C)Nc1cncs1
InChIInChI=1S/C9H15FN2OS/c1-7(8(2)13-4-3-10)12-9-5-11-6-14-9/h5-8,12H,3-4H2,1-2H3/t7-,8?/m1/s1
InChIKeyQZWMUJIFVXGHPI-GVHYBUMESA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine?
The IUPAC name of N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine (CID 174062692) is N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine?
The canonical SMILES for N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine is CC(OCCF)[C@@H](C)Nc1cncs1.
What is the InChIKey of N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine?
The InChIKey is QZWMUJIFVXGHPI-GVHYBUMESA-N. The full InChI is InChI=1S/C9H15FN2OS/c1-7(8(2)13-4-3-10)12-9-5-11-6-14-9/h5-8,12H,3-4H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine?
N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine has a molecular weight of 218.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2-fluoroethoxy)butan-2-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 174062692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).