N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide

C17H18N4O4S — CID 22515468

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
SMILESCOCCn1c(C)cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c1C
InChIInChI=1S/C17H18N4O4S/c1-10-9-12(11(2)21(10)6-8-24-3)14(22)15(23)18-17-20-19-16(26-17)13-5-4-7-25-13/h4-5,7,9H,6,8H2,1-3H3,(H,18,20,23)
InChIKeyABFQQLUQSFTYOB-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.68
Rot. Bonds7

About N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide (PubChem CID 22515468) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
PubChem CID22515468
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
SMILESCOCCn1c(C)cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c1C
InChIInChI=1S/C17H18N4O4S/c1-10-9-12(11(2)21(10)6-8-24-3)14(22)15(23)18-17-20-19-16(26-17)13-5-4-7-25-13/h4-5,7,9H,6,8H2,1-3H3,(H,18,20,23)
InChIKeyABFQQLUQSFTYOB-UHFFFAOYSA-N
XLogP2.68
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
CID 2424504
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2104363
1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 4423258
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-3-naphthalen-1-yl-5-phenylpyrrol-1-yl]acetamide
CID 118710021
1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 5035179
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(2-furyl)-3,5-diphenyl-pyrrol-1-yl]acetamide
CID 118710005
2-[2,3-bis(2-furyl)-5-phenyl-pyrrol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 118710013
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(2-furyl)-5-(2-naphthyl)-3-phenyl-pyrrol-1-yl]acetamide
CID 118710018
1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone
CID 982542
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7817001
2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 9262749
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 9467930

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide (CID 22515468) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide is COCCn1c(C)cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c1C.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The InChIKey is ABFQQLUQSFTYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-10-9-12(11(2)21(10)6-8-24-3)14(22)15(23)18-17-20-19-16(26-17)13-5-4-7-25-13/h4-5,7,9H,6,8H2,1-3H3,(H,18,20,23).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide has a molecular weight of 374.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 22515468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).