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

C16H12N4O3S2 — CID 47026275

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3nnc(-c4ccco4)s3)cs2)o1
InChIInChI=1S/C16H12N4O3S2/c1-9-4-5-12(23-9)14-17-10(8-24-14)7-13(21)18-16-20-19-15(25-16)11-3-2-6-22-11/h2-6,8H,7H2,1H3,(H,18,20,21)
InChIKeyGTQNYHWTWPSEQA-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.00
Rot. Bonds5

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 47026275) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID47026275
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3nnc(-c4ccco4)s3)cs2)o1
InChIInChI=1S/C16H12N4O3S2/c1-9-4-5-12(23-9)14-17-10(8-24-14)7-13(21)18-16-20-19-15(25-16)11-3-2-6-22-11/h2-6,8H,7H2,1H3,(H,18,20,21)
InChIKeyGTQNYHWTWPSEQA-UHFFFAOYSA-N
XLogP4.00
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47066432
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31766308
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39129843
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31913885
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43546783
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 31826746
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 47026275) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3nnc(-c4ccco4)s3)cs2)o1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is GTQNYHWTWPSEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c1-9-4-5-12(23-9)14-17-10(8-24-14)7-13(21)18-16-20-19-15(25-16)11-3-2-6-22-11/h2-6,8H,7H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 4.00, 5 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-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 47026275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).