2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide

C18H16N4O3S — CID 163380441

IUPAC2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1ccc2oc(C)c(C(=O)Nc3cn[nH]c3)c2c1
InChIInChI=1S/C18H16N4O3S/c1-10-16(26-9-19-10)8-24-13-3-4-15-14(5-13)17(11(2)25-15)18(23)22-12-6-20-21-7-12/h3-7,9H,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQSHYPZGXAHVLGC-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.06
Rot. Bonds5

About 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide

2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide (PubChem CID 163380441) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide
PubChem CID163380441
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1ccc2oc(C)c(C(=O)Nc3cn[nH]c3)c2c1
InChIInChI=1S/C18H16N4O3S/c1-10-16(26-9-19-10)8-24-13-3-4-15-14(5-13)17(11(2)25-15)18(23)22-12-6-20-21-7-12/h3-7,9H,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQSHYPZGXAHVLGC-UHFFFAOYSA-N
XLogP4.06
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380130
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380697
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480431
N-[3-(aminomethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380055
N-(2-amino-1-cyano-2-oxoethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380216
N-[1-(aminomethyl)cyclobutyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380922
N-(4-carbamoyloxan-4-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380093
N-[1-amino-3-(difluoromethoxy)-1-hydroxypropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 167093436
2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(5-oxo-1,4-oxazepan-6-yl)-1-benzofuran-3-carboxamide
CID 163380921
2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carbaldehyde
CID 170356736
2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380158

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide (CID 163380441) is 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide is Cc1ncsc1COc1ccc2oc(C)c(C(=O)Nc3cn[nH]c3)c2c1.
What is the InChIKey of 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide?
The InChIKey is QSHYPZGXAHVLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-16(26-9-19-10)8-24-13-3-4-15-14(5-13)17(11(2)25-15)18(23)22-12-6-20-21-7-12/h3-7,9H,8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide?
2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(1H-pyrazol-4-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).