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

C13H16FN3S — CID 62767057

IUPAC5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccccc2F)sc1CN
InChIInChI=1S/C13H16FN3S/c1-9-12(7-15)18-13(16-9)17(2)8-10-5-3-4-6-11(10)14/h3-6H,7-8,15H2,1-2H3
InChIKeyLNXWTEDKJBMBOM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.69
Rot. Bonds4

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

5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62767057) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62767057
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccccc2F)sc1CN
InChIInChI=1S/C13H16FN3S/c1-9-12(7-15)18-13(16-9)17(2)8-10-5-3-4-6-11(10)14/h3-6H,7-8,15H2,1-2H3
InChIKeyLNXWTEDKJBMBOM-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767571
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767766
5-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62767236
5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 55117423
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979407
6-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66456456
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
CID 63918558
5-(aminomethyl)-N,4-dimethyl-N-pentyl-1,3-thiazol-2-amine
CID 62768133
5-(aminomethyl)-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62766977
5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62750191
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 62767057) is 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)Cc2ccccc2F)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LNXWTEDKJBMBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9-12(7-15)18-13(16-9)17(2)8-10-5-3-4-6-11(10)14/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).