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

C13H16ClN3S — CID 62767766

IUPAC5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccc(Cl)cc2)sc1CN
InChIInChI=1S/C13H16ClN3S/c1-9-12(7-15)18-13(16-9)17(2)8-10-3-5-11(14)6-4-10/h3-6H,7-8,15H2,1-2H3
InChIKeyIQUFGJZMYZEDLW-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.20
Rot. Bonds4

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

5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62767766) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62767766
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccc(Cl)cc2)sc1CN
InChIInChI=1S/C13H16ClN3S/c1-9-12(7-15)18-13(16-9)17(2)8-10-3-5-11(14)6-4-10/h3-6H,7-8,15H2,1-2H3
InChIKeyIQUFGJZMYZEDLW-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767057
[2-[(4-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392577
5-(aminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769107
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62778968
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
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766662
5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 55117423
N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 133488301
6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 55054791

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 62767766) is 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)Cc2ccc(Cl)cc2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is IQUFGJZMYZEDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-9-12(7-15)18-13(16-9)17(2)8-10-3-5-11(14)6-4-10/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 281.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).