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

C18H14N4O2S3 — CID 60549610

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(Sc4nncs4)cc3)cs2)o1
InChIInChI=1S/C18H14N4O2S3/c1-11-2-7-15(24-11)17-21-13(9-25-17)8-16(23)20-12-3-5-14(6-4-12)27-18-22-19-10-26-18/h2-7,9-10H,8H2,1H3,(H,20,23)
InChIKeyOZHNROMJEWDUIY-UHFFFAOYSA-N
MW414.54 g/mol
LogP4.90
Rot. Bonds6

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

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide (PubChem CID 60549610) has the molecular formula C18H14N4O2S3 and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
PubChem CID60549610
Molecular FormulaC18H14N4O2S3
Molecular Weight414.54 g/mol
Exact Mass414.03
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(Sc4nncs4)cc3)cs2)o1
InChIInChI=1S/C18H14N4O2S3/c1-11-2-7-15(24-11)17-21-13(9-25-17)8-16(23)20-12-3-5-14(6-4-12)27-18-22-19-10-26-18/h2-7,9-10H,8H2,1H3,(H,20,23)
InChIKeyOZHNROMJEWDUIY-UHFFFAOYSA-N
XLogP4.90
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

S-[4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529514
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46686268
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
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55798738
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39129843
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46474409
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46494595
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide (CID 60549610) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3ccc(Sc4nncs4)cc3)cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?
The InChIKey is OZHNROMJEWDUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S3/c1-11-2-7-15(24-11)17-21-13(9-25-17)8-16(23)20-12-3-5-14(6-4-12)27-18-22-19-10-26-18/h2-7,9-10H,8H2,1H3,(H,20,23).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide has a molecular weight of 414.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 60549610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).