N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C20H17FN4O2S — CID 112822124

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN4O2S/c1-11-10-17(25(24-11)15-7-5-14(21)6-8-15)23-19(26)18-13(3)22-20(28-18)16-9-4-12(2)27-16/h4-10H,1-3H3,(H,23,26)
InChIKeyZRHSQCFROPIYEY-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.91
Rot. Bonds4

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 112822124) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID112822124
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN4O2S/c1-11-10-17(25(24-11)15-7-5-14(21)6-8-15)23-19(26)18-13(3)22-20(28-18)16-9-4-12(2)27-16/h4-10H,1-3H3,(H,23,26)
InChIKeyZRHSQCFROPIYEY-UHFFFAOYSA-N
XLogP4.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 112822124) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZRHSQCFROPIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-11-10-17(25(24-11)15-7-5-14(21)6-8-15)23-19(26)18-13(3)22-20(28-18)16-9-4-12(2)27-16/h4-10H,1-3H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112822124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).