5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole

C13H18BrN5S — CID 133498199

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
SMILESCCN1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1
InChIInChI=1S/C13H18BrN5S/c1-2-17-3-5-18(6-4-17)13-15-8-12(20-13)10-19-9-11(14)7-16-19/h7-9H,2-6,10H2,1H3
InChIKeyPNFLMOZJEOIOFV-UHFFFAOYSA-N
MW356.29 g/mol
LogP2.29
Rot. Bonds4

About 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole

5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole (PubChem CID 133498199) has the molecular formula C13H18BrN5S and a molecular weight of 356.29 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
PubChem CID133498199
Molecular FormulaC13H18BrN5S
Molecular Weight356.29 g/mol
Exact Mass355.05
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
SMILESCCN1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1
InChIInChI=1S/C13H18BrN5S/c1-2-17-3-5-18(6-4-17)13-15-8-12(20-13)10-19-9-11(14)7-16-19/h7-9H,2-6,10H2,1H3
InChIKeyPNFLMOZJEOIOFV-UHFFFAOYSA-N
XLogP2.29
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole 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-1H-pyrazol-1-yl)-1,3-thiazole
CID 56828825
2-[4-[(1-Methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 121534042
2-[4-[(1-Tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133508751
2-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133508760
2-[4-[(1-Propylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133508761
2-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133508789
N-methyl-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133508953
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133522160
methyl N-[[2-(4-bromopyrazol-1-yl)-1,3-thiazol-5-yl]methyl]-N-tert-butylcarbamate
CID 140322702
2-(4-Bromopyrazol-1-yl)-5-ethyl-1,3-thiazole
CID 158183929
5-Bromo-2-(4-methyl-1H-pyrazol-1-YL)thiazole
CID 45787559
2-[4-[(1-Methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 53555512

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole (CID 133498199) is 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole is CCN1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is PNFLMOZJEOIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5S/c1-2-17-3-5-18(6-4-17)13-15-8-12(20-13)10-19-9-11(14)7-16-19/h7-9H,2-6,10H2,1H3.
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 356.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 133498199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).