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

C13H15FN2S — CID 62122450

IUPAC4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2ccc(F)c(C)c2)c(N)s1
InChIInChI=1S/C13H15FN2S/c1-3-4-11-16-12(13(15)17-11)9-5-6-10(14)8(2)7-9/h5-7H,3-4,15H2,1-2H3
InChIKeyAPSZNJAOAIQENO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.79
Rot. Bonds3

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

4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine (PubChem CID 62122450) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
PubChem CID62122450
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2ccc(F)c(C)c2)c(N)s1
InChIInChI=1S/C13H15FN2S/c1-3-4-11-16-12(13(15)17-11)9-5-6-10(14)8(2)7-9/h5-7H,3-4,15H2,1-2H3
InChIKeyAPSZNJAOAIQENO-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine (CID 62122450) is 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine is CCCc1nc(-c2ccc(F)c(C)c2)c(N)s1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine?
The InChIKey is APSZNJAOAIQENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-4-11-16-12(13(15)17-11)9-5-6-10(14)8(2)7-9/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine?
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine has a molecular weight of 250.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62122450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).