5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine

C7H11FN2S — CID 153485005

IUPAC5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-5(2)10-7-9-4-6(3-8)11-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyHBPSRXDIQOBGAN-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.43
Rot. Bonds3

About 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine

5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 153485005) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID153485005
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(CF)s1
InChIInChI=1S/C7H11FN2S/c1-5(2)10-7-9-4-6(3-8)11-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyHBPSRXDIQOBGAN-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 153485005) is 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(CF)s1.
What is the InChIKey of 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is HBPSRXDIQOBGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-5(2)10-7-9-4-6(3-8)11-7/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 174.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 153485005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).