1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C15H18N2S — CID 79979226

IUPAC1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2cccc(C3CC3)c2)n1
InChIInChI=1S/C15H18N2S/c1-11-10-18-15(17-11)9-16-8-12-3-2-4-14(7-12)13-5-6-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3
InChIKeyYJUZLXQVCUUJGK-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.62
Rot. Bonds5

About 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 79979226) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID79979226
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2cccc(C3CC3)c2)n1
InChIInChI=1S/C15H18N2S/c1-11-10-18-15(17-11)9-16-8-12-3-2-4-14(7-12)13-5-6-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3
InChIKeyYJUZLXQVCUUJGK-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668473
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
N-[(3-cyclopropylphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414078
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile
CID 79979512
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79970542
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54913172

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 79979226) is 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCc2cccc(C3CC3)c2)n1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is YJUZLXQVCUUJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-10-18-15(17-11)9-16-8-12-3-2-4-14(7-12)13-5-6-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 79979226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).