1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C13H19BrN4OS — CID 114649830

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1c(Br)cnn1CCOC
InChIInChI=1S/C13H19BrN4OS/c1-9-8-20-12(17-9)6-11(15-2)13-10(14)7-16-18(13)4-5-19-3/h7-8,11,15H,4-6H2,1-3H3
InChIKeyNQTANDKFMATCDE-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.56
Rot. Bonds7

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 114649830) has the molecular formula C13H19BrN4OS and a molecular weight of 359.29 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID114649830
Molecular FormulaC13H19BrN4OS
Molecular Weight359.29 g/mol
Exact Mass358.05
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1c(Br)cnn1CCOC
InChIInChI=1S/C13H19BrN4OS/c1-9-8-20-12(17-9)6-11(15-2)13-10(14)7-16-18(13)4-5-19-3/h7-8,11,15H,4-6H2,1-3H3
InChIKeyNQTANDKFMATCDE-UHFFFAOYSA-N
XLogP2.56
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine
CID 114649769
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)-N-methylethanamine
CID 114647359
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 105184314
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105184289
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxy-N-methylbutan-1-amine
CID 105184243
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptyl-N-methylethanamine
CID 105042914
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105337332
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105184316
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 114649830) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is NQTANDKFMATCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4OS/c1-9-8-20-12(17-9)6-11(15-2)13-10(14)7-16-18(13)4-5-19-3/h7-8,11,15H,4-6H2,1-3H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 359.29 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 114649830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).