4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine

C13H15FN2S — CID 62065561

IUPAC4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(C)cc1F
InChIInChI=1S/C13H15FN2S/c1-3-11-12(17-13(15)16-11)7-9-5-4-8(2)6-10(9)14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyOBMHBIDWZDFUQQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.33
Rot. Bonds3

About 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine

4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62065561) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62065561
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(C)cc1F
InChIInChI=1S/C13H15FN2S/c1-3-11-12(17-13(15)16-11)7-9-5-4-8(2)6-10(9)14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyOBMHBIDWZDFUQQ-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 62065561) is 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1ccc(C)cc1F.
What is the InChIKey of 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OBMHBIDWZDFUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-11-12(17-13(15)16-11)7-9-5-4-8(2)6-10(9)14/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62065561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).