2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine

C13H13FN2S — CID 62125233

IUPAC2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
SMILESCc1cc(F)ccc1-c1nc(C2CC2)sc1N
InChIInChI=1S/C13H13FN2S/c1-7-6-9(14)4-5-10(7)11-12(15)17-13(16-11)8-2-3-8/h4-6,8H,2-3,15H2,1H3
InChIKeyVSWAEQVGVDYDHK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.72
Rot. Bonds2

About 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine

2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine (PubChem CID 62125233) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
PubChem CID62125233
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
SMILESCc1cc(F)ccc1-c1nc(C2CC2)sc1N
InChIInChI=1S/C13H13FN2S/c1-7-6-9(14)4-5-10(7)11-12(15)17-13(16-11)8-2-3-8/h4-6,8H,2-3,15H2,1H3
InChIKeyVSWAEQVGVDYDHK-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine (CID 62125233) is 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine is Cc1cc(F)ccc1-c1nc(C2CC2)sc1N.
What is the InChIKey of 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine?
The InChIKey is VSWAEQVGVDYDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-7-6-9(14)4-5-10(7)11-12(15)17-13(16-11)8-2-3-8/h4-6,8H,2-3,15H2,1H3.
What are the key properties of 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine?
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine has a molecular weight of 248.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62125233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).