4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

C8H6Br2N4OS — CID 1028404

IUPAC4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2ncc(Br)s2)n1
InChIInChI=1S/C8H6Br2N4OS/c1-14-3-4(9)6(13-14)7(15)12-8-11-2-5(10)16-8/h2-3H,1H3,(H,11,12,15)
InChIKeyZOVAHQFLJJOZOH-UHFFFAOYSA-N
MW366.04 g/mol
LogP2.65
Rot. Bonds2

About 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 1028404) has the molecular formula C8H6Br2N4OS and a molecular weight of 366.04 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID1028404
Molecular FormulaC8H6Br2N4OS
Molecular Weight366.04 g/mol
Exact Mass363.86
IUPAC Name4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2ncc(Br)s2)n1
InChIInChI=1S/C8H6Br2N4OS/c1-14-3-4(9)6(13-14)7(15)12-8-11-2-5(10)16-8/h2-3H,1H3,(H,11,12,15)
InChIKeyZOVAHQFLJJOZOH-UHFFFAOYSA-N
XLogP2.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.04
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 893021
4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831979
1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 6471003
4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 903362
4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 831994
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831420
4-bromo-2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 891968
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 4770994
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 1028404) is 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2ncc(Br)s2)n1.
What is the InChIKey of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is ZOVAHQFLJJOZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N4OS/c1-14-3-4(9)6(13-14)7(15)12-8-11-2-5(10)16-8/h2-3H,1H3,(H,11,12,15).
What are the key properties of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 366.04 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 1028404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).