3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C15H16N4O2S — CID 136519900

IUPAC3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C15H16N4O2S/c1-3-12-11(8-19(2)18-12)14(20)16-7-10-9-22-15(17-10)13-5-4-6-21-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)
InChIKeyIKZGPXPEEGGKRF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.63
Rot. Bonds5

About 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide

3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 136519900) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID136519900
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C15H16N4O2S/c1-3-12-11(8-19(2)18-12)14(20)16-7-10-9-22-15(17-10)13-5-4-6-21-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)
InChIKeyIKZGPXPEEGGKRF-UHFFFAOYSA-N
XLogP2.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 136519900) is 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NCc1csc(-c2ccco2)n1.
What is the InChIKey of 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is IKZGPXPEEGGKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-3-12-11(8-19(2)18-12)14(20)16-7-10-9-22-15(17-10)13-5-4-6-21-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,20).
What are the key properties of 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136519900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).