methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate

C10H10BrN3O2S — CID 90383445

IUPACmethyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C)c(Br)s2)cnn1C
InChIInChI=1S/C10H10BrN3O2S/c1-5-8(11)17-9(13-5)6-4-12-14(2)7(6)10(15)16-3/h4H,1-3H3
InChIKeyAEJGYDXURSGYBA-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.40
Rot. Bonds2

About methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate

methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate (PubChem CID 90383445) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
PubChem CID90383445
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Namemethyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C)c(Br)s2)cnn1C
InChIInChI=1S/C10H10BrN3O2S/c1-5-8(11)17-9(13-5)6-4-12-14(2)7(6)10(15)16-3/h4H,1-3H3
InChIKeyAEJGYDXURSGYBA-UHFFFAOYSA-N
XLogP2.40
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-methyl-4-(1,3-thiazol-2-yl)pyrazole-5-carboxylate
CID 90383280
methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
CID 90383512
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
methyl 4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
CID 90383357
methyl 4-[4-(aminomethyl)phenyl]-1-methylpyrazole-5-carboxylate
CID 164928869
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092
methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 114078260
methyl 4-(3-amino-3-oxoprop-1-enyl)-1-methylpyrazole-5-carboxylate
CID 169482772
1-(4-bromo-1-methylpyrazol-5-yl)-2-(methylamino)propan-1-one
CID 114668964
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 102842185

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate (CID 90383445) is methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2nc(C)c(Br)s2)cnn1C.
What is the InChIKey of methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
The InChIKey is AEJGYDXURSGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c1-5-8(11)17-9(13-5)6-4-12-14(2)7(6)10(15)16-3/h4H,1-3H3.
What are the key properties of methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate?
methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate has a molecular weight of 316.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).