N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

C22H18N4O3S — CID 112808676

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1
InChIInChI=1S/C22H18N4O3S/c1-28-16-5-2-13(3-6-16)20-17(11-23-26-20)21(27)25-22-24-18(12-30-22)14-4-7-19-15(10-14)8-9-29-19/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyULAIVXVUNGMNAL-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.40
Rot. Bonds5

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 112808676) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID112808676
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1
InChIInChI=1S/C22H18N4O3S/c1-28-16-5-2-13(3-6-16)20-17(11-23-26-20)21(27)25-22-24-18(12-30-22)14-4-7-19-15(10-14)8-9-29-19/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyULAIVXVUNGMNAL-UHFFFAOYSA-N
XLogP4.40
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-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

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112822142
4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38937157
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)propanamide
CID 46680342
(2R)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 30094774
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569326
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17394900
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686379
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
ethyl 6-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632896
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848719

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 112808676) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ULAIVXVUNGMNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-28-16-5-2-13(3-6-16)20-17(11-23-26-20)21(27)25-22-24-18(12-30-22)14-4-7-19-15(10-14)8-9-29-19/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 112808676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).