2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C9H9BrN4OS — CID 58464949

IUPAC2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(Br)nc1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H9BrN4OS/c1-5-7(13-9(10)16-5)8(15)12-6-3-11-14(2)4-6/h3-4H,1-2H3,(H,12,15)
InChIKeySIEZSULSEIVBEH-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.20
Rot. Bonds2

About 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 58464949) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID58464949
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC Name2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(Br)nc1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H9BrN4OS/c1-5-7(13-9(10)16-5)8(15)12-6-3-11-14(2)4-6/h3-4H,1-2H3,(H,12,15)
InChIKeySIEZSULSEIVBEH-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 58464949) is 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1sc(Br)nc1C(=O)Nc1cnn(C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SIEZSULSEIVBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c1-5-7(13-9(10)16-5)8(15)12-6-3-11-14(2)4-6/h3-4H,1-2H3,(H,12,15).
What are the key properties of 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).