5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine

C15H20FN3S — CID 62778968

IUPAC5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)Cc2ccc(F)cc2)sc1CN
InChIInChI=1S/C15H20FN3S/c1-3-4-13-14(9-17)20-15(18-13)19(2)10-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10,17H2,1-2H3
InChIKeyOKXNIQCCVJJWPW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.33
Rot. Bonds6

About 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine (PubChem CID 62778968) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
PubChem CID62778968
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)Cc2ccc(F)cc2)sc1CN
InChIInChI=1S/C15H20FN3S/c1-3-4-13-14(9-17)20-15(18-13)19(2)10-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10,17H2,1-2H3
InChIKeyOKXNIQCCVJJWPW-UHFFFAOYSA-N
XLogP3.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine (CID 62778968) is 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)Cc2ccc(F)cc2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is OKXNIQCCVJJWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-3-4-13-14(9-17)20-15(18-13)19(2)10-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62778968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).