4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine

C10H10FN3S — CID 82473163

IUPAC4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CNc2ccccc2F)cs1
InChIInChI=1S/C10H10FN3S/c11-8-3-1-2-4-9(8)13-5-7-6-15-10(12)14-7/h1-4,6,13H,5H2,(H2,12,14)
InChIKeyIWGBIJLJZQYXBE-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.48
Rot. Bonds3

About 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine

4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 82473163) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine
PubChem CID82473163
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CNc2ccccc2F)cs1
InChIInChI=1S/C10H10FN3S/c11-8-3-1-2-4-9(8)13-5-7-6-15-10(12)14-7/h1-4,6,13H,5H2,(H2,12,14)
InChIKeyIWGBIJLJZQYXBE-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine (CID 82473163) is 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine is Nc1nc(CNc2ccccc2F)cs1.
What is the InChIKey of 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is IWGBIJLJZQYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c11-8-3-1-2-4-9(8)13-5-7-6-15-10(12)14-7/h1-4,6,13H,5H2,(H2,12,14).
What are the key properties of 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine?
4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82473163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).