2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C21H20N4O2S — CID 55608506

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCCc3cnn(-c4ccccc4)c3)cs2)o1
InChIInChI=1S/C21H20N4O2S/c1-15-7-8-19(27-15)21-24-17(14-28-21)11-20(26)22-10-9-16-12-23-25(13-16)18-5-3-2-4-6-18/h2-8,12-14H,9-11H2,1H3,(H,22,26)
InChIKeyKPNDQISTMFXPPT-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.80
Rot. Bonds7

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 55608506) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID55608506
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCCc3cnn(-c4ccccc4)c3)cs2)o1
InChIInChI=1S/C21H20N4O2S/c1-15-7-8-19(27-15)21-24-17(14-28-21)11-20(26)22-10-9-16-12-23-25(13-16)18-5-3-2-4-6-18/h2-8,12-14H,9-11H2,1H3,(H,22,26)
InChIKeyKPNDQISTMFXPPT-UHFFFAOYSA-N
XLogP3.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55652126
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 55607641
5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70775870
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 99171388
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
2-[4-[[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698581
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119392951
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
CID 55798951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 55608506) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is Cc1ccc(-c2nc(CC(=O)NCCc3cnn(-c4ccccc4)c3)cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is KPNDQISTMFXPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-7-8-19(27-15)21-24-17(14-28-21)11-20(26)22-10-9-16-12-23-25(13-16)18-5-3-2-4-6-18/h2-8,12-14H,9-11H2,1H3,(H,22,26).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 55608506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).