N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide

C19H18N4O3S — CID 42138603

IUPACN-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCOc1cccc2cc(-c3csc(NC(=O)c4ccn(CC)n4)n3)oc12
InChIInChI=1S/C19H18N4O3S/c1-3-23-9-8-13(22-23)18(24)21-19-20-14(11-27-19)16-10-12-6-5-7-15(25-4-2)17(12)26-16/h5-11H,3-4H2,1-2H3,(H,20,21,24)
InChIKeySLTKKVNXPXETFX-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.42
Rot. Bonds6

About N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide

N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 42138603) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID42138603
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCOc1cccc2cc(-c3csc(NC(=O)c4ccn(CC)n4)n3)oc12
InChIInChI=1S/C19H18N4O3S/c1-3-23-9-8-13(22-23)18(24)21-19-20-14(11-27-19)16-10-12-6-5-7-15(25-4-2)17(12)26-16/h5-11H,3-4H2,1-2H3,(H,20,21,24)
InChIKeySLTKKVNXPXETFX-UHFFFAOYSA-N
XLogP4.42
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 30349569
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888822
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 4098996
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33004368
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea
CID 30349488
4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 18570613
N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 44916083
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 44916333
7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide (CID 42138603) is N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide is CCOc1cccc2cc(-c3csc(NC(=O)c4ccn(CC)n4)n3)oc12.
What is the InChIKey of N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is SLTKKVNXPXETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-3-23-9-8-13(22-23)18(24)21-19-20-14(11-27-19)16-10-12-6-5-7-15(25-4-2)17(12)26-16/h5-11H,3-4H2,1-2H3,(H,20,21,24).
What are the key properties of N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 42138603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).