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

C20H16F2N4O2S — CID 60611589

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3c(C)cnn3Cc3cc(F)ccc3F)cs2)o1
InChIInChI=1S/C20H16F2N4O2S/c1-11-8-23-26(9-13-7-14(21)4-5-15(13)22)18(11)25-19(27)16-10-29-20(24-16)17-6-3-12(2)28-17/h3-8,10H,9H2,1-2H3,(H,25,27)
InChIKeyOYLHDNNYJLMOMW-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.80
Rot. Bonds5

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

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 60611589) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID60611589
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3c(C)cnn3Cc3cc(F)ccc3F)cs2)o1
InChIInChI=1S/C20H16F2N4O2S/c1-11-8-23-26(9-13-7-14(21)4-5-15(13)22)18(11)25-19(27)16-10-29-20(24-16)17-6-3-12(2)28-17/h3-8,10H,9H2,1-2H3,(H,25,27)
InChIKeyOYLHDNNYJLMOMW-UHFFFAOYSA-N
XLogP4.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 60611589) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3c(C)cnn3Cc3cc(F)ccc3F)cs2)o1.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OYLHDNNYJLMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-11-8-23-26(9-13-7-14(21)4-5-15(13)22)18(11)25-19(27)16-10-29-20(24-16)17-6-3-12(2)28-17/h3-8,10H,9H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60611589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).