1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine

C18H22N4OS — CID 51105217

IUPAC1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1c(CNCc2nc(-c3ccccc3)c(C)s2)c(C)nn1C
InChIInChI=1S/C18H22N4OS/c1-12-15(18(23-4)22(3)21-12)10-19-11-16-20-17(13(2)24-16)14-8-6-5-7-9-14/h5-9,19H,10-11H2,1-4H3
InChIKeyXZSRWKJMQNETQN-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.46
Rot. Bonds6

About 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine

1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 51105217) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID51105217
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1c(CNCc2nc(-c3ccccc3)c(C)s2)c(C)nn1C
InChIInChI=1S/C18H22N4OS/c1-12-15(18(23-4)22(3)21-12)10-19-11-16-20-17(13(2)24-16)14-8-6-5-7-9-14/h5-9,19H,10-11H2,1-4H3
InChIKeyXZSRWKJMQNETQN-UHFFFAOYSA-N
XLogP3.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105302
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115627595
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-phenoxy-4-pyridinyl)methanamine
CID 51104998
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234184
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543228

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine (CID 51105217) is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine is COc1c(CNCc2nc(-c3ccccc3)c(C)s2)c(C)nn1C.
What is the InChIKey of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is XZSRWKJMQNETQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12-15(18(23-4)22(3)21-12)10-19-11-16-20-17(13(2)24-16)14-8-6-5-7-9-14/h5-9,19H,10-11H2,1-4H3.
What are the key properties of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 342.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 51105217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).