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

C14H22BrN5S — CID 105183340

IUPAC2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1csc(C)n1)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C14H22BrN5S/c1-5-16-13(12-9-21-10(2)18-12)14-11(15)8-17-20(14)7-6-19(3)4/h8-9,13,16H,5-7H2,1-4H3
InChIKeyFMNBQGBYCWSKPD-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.67
Rot. Bonds7

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

2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105183340) has the molecular formula C14H22BrN5S and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105183340
Molecular FormulaC14H22BrN5S
Molecular Weight372.34 g/mol
Exact Mass371.08
IUPAC Name2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1csc(C)n1)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C14H22BrN5S/c1-5-16-13(12-9-21-10(2)18-12)14-11(15)8-17-20(14)7-6-19(3)4/h8-9,13,16H,5-7H2,1-4H3
InChIKeyFMNBQGBYCWSKPD-UHFFFAOYSA-N
XLogP2.67
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine 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

2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336514
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105337332
2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660779
2-[5-[amino-(2-methyl-1,3-thiazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182393
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657427
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638408
2-[5-[ethylamino(1,3-thiazol-4-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114658733
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105184289
2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105228636

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105183340) is 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1csc(C)n1)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is FMNBQGBYCWSKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5S/c1-5-16-13(12-9-21-10(2)18-12)14-11(15)8-17-20(14)7-6-19(3)4/h8-9,13,16H,5-7H2,1-4H3.
What are the key properties of 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 372.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105183340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).