4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole

C7H6BrN3S — CID 79402194

IUPAC4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(Br)cs2)cn1
InChIInChI=1S/C7H6BrN3S/c1-11-3-5(2-9-11)7-10-6(8)4-12-7/h2-4H,1H3
InChIKeyGTTHVKFCBZEMRI-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.31
Rot. Bonds1

About 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole

4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole (PubChem CID 79402194) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole
PubChem CID79402194
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(Br)cs2)cn1
InChIInChI=1S/C7H6BrN3S/c1-11-3-5(2-9-11)7-10-6(8)4-12-7/h2-4H,1H3
InChIKeyGTTHVKFCBZEMRI-UHFFFAOYSA-N
XLogP2.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 117761225
4-Bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 164718710
4-Chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole
CID 177229933
4-Bromo-2-(1H-pyrazol-4-yl)thiazole
CID 178344202
2-(Pyrazol-1-ylmethyl)-1,3-thiazole
CID 23114440
7-Methylpyrazolo[5,1-b][1,3]thiazole
CID 58094764
2-Methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-thiazole
CID 68165916
4-Chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 83157990
4-[(4-Methylpyrazol-1-yl)methyl]-1,3-thiazole
CID 89630947
2-(1-Methyl-1H-pyrazol-4-yl)-1,3-thiazole
CID 90120290
4-Tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 104026078
5-Methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 104469602

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole (CID 79402194) is 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole is Cn1cc(-c2nc(Br)cs2)cn1.
What is the InChIKey of 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is GTTHVKFCBZEMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c1-11-3-5(2-9-11)7-10-6(8)4-12-7/h2-4H,1H3.
What are the key properties of 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 244.12 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 79402194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).