5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine

C11H11FN2S — CID 79050088

IUPAC5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(F)cc(Cc2cnc(N)s2)c1
InChIInChI=1S/C11H11FN2S/c1-7-2-8(4-9(12)3-7)5-10-6-14-11(13)15-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyGEIVJENKEZOTSZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.76
Rot. Bonds2

About 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine

5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 79050088) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID79050088
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(F)cc(Cc2cnc(N)s2)c1
InChIInChI=1S/C11H11FN2S/c1-7-2-8(4-9(12)3-7)5-10-6-14-11(13)15-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyGEIVJENKEZOTSZ-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 79050088) is 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1cc(F)cc(Cc2cnc(N)s2)c1.
What is the InChIKey of 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GEIVJENKEZOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7-2-8(4-9(12)3-7)5-10-6-14-11(13)15-10/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 222.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79050088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).