5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine

C15H21N3S — CID 62769284

IUPAC5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)c2ccccc2C)sc1CN
InChIInChI=1S/C15H21N3S/c1-4-7-12-14(10-16)19-15(17-12)18(3)13-9-6-5-8-11(13)2/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyZDOMIRLHWRJNGL-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.63
Rot. Bonds5

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

5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine (PubChem CID 62769284) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine
PubChem CID62769284
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)c2ccccc2C)sc1CN
InChIInChI=1S/C15H21N3S/c1-4-7-12-14(10-16)19-15(17-12)18(3)13-9-6-5-8-11(13)2/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyZDOMIRLHWRJNGL-UHFFFAOYSA-N
XLogP3.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62769283
5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 55117423
5-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62767236
2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766149
5-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 55117520
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767782
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 55225632
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62778968
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine (CID 62769284) is 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)c2ccccc2C)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine?
The InChIKey is ZDOMIRLHWRJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-7-12-14(10-16)19-15(17-12)18(3)13-9-6-5-8-11(13)2/h5-6,8-9H,4,7,10,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62769284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).