5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C13H16FN3OS — CID 82541782

IUPAC5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2F)c(C(C)N)s1
InChIInChI=1S/C13H16FN3OS/c1-7(15)12-11(17-13(16-2)19-12)9-5-4-8(18-3)6-10(9)14/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyXDUGPPOMYCXFLT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds4

About 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 82541782) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID82541782
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2F)c(C(C)N)s1
InChIInChI=1S/C13H16FN3OS/c1-7(15)12-11(17-13(16-2)19-12)9-5-4-8(18-3)6-10(9)14/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyXDUGPPOMYCXFLT-UHFFFAOYSA-N
XLogP3.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 82541782) is 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(OC)cc2F)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is XDUGPPOMYCXFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-7(15)12-11(17-13(16-2)19-12)9-5-4-8(18-3)6-10(9)14/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82541782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).