N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C20H15F3N4O2S — CID 86875762

IUPACN-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)13-26(11-16-7-4-8-29-16)19(28)17-12-30-18(25-17)14-9-24-27(10-14)15-5-2-1-3-6-15/h1-10,12H,11,13H2
InChIKeyDDQSDGORSOFMRL-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.79
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 86875762) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID86875762
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC NameN-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)13-26(11-16-7-4-8-29-16)19(28)17-12-30-18(25-17)14-9-24-27(10-14)15-5-2-1-3-6-15/h1-10,12H,11,13H2
InChIKeyDDQSDGORSOFMRL-UHFFFAOYSA-N
XLogP4.79
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-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

Related Compounds

2-(1,3-Diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone
CID 2998807
US9617282, Example 72
CID 118636236
2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 31974342
4-[[2-(Furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559184
4-[[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559201
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 53568151
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53589344
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 53618331
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 53621531
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622378
2-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53623504
[2-(Furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779224

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 86875762) is N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DDQSDGORSOFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c21-20(22,23)13-26(11-16-7-4-8-29-16)19(28)17-12-30-18(25-17)14-9-24-27(10-14)15-5-2-1-3-6-15/h1-10,12H,11,13H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86875762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).