N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C12H16N4O2S — CID 84599576

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1c(CNC(=O)c2scnc2C)c(C)nn1C
InChIInChI=1S/C12H16N4O2S/c1-7-9(12(18-4)16(3)15-7)5-13-11(17)10-8(2)14-6-19-10/h6H,5H2,1-4H3,(H,13,17)
InChIKeyJTIVLIBWXUEOOF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.43
Rot. Bonds4

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 84599576) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID84599576
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1c(CNC(=O)c2scnc2C)c(C)nn1C
InChIInChI=1S/C12H16N4O2S/c1-7-9(12(18-4)16(3)15-7)5-13-11(17)10-8(2)14-6-19-10/h6H,5H2,1-4H3,(H,13,17)
InChIKeyJTIVLIBWXUEOOF-UHFFFAOYSA-N
XLogP1.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 84599576) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1c(CNC(=O)c2scnc2C)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JTIVLIBWXUEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-9(12(18-4)16(3)15-7)5-13-11(17)10-8(2)14-6-19-10/h6H,5H2,1-4H3,(H,13,17).
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84599576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).