2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C18H14N4O3S2 — CID 18171324

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3nnc(-c4ccco4)o3)c2)cs1
InChIInChI=1S/C18H14N4O3S2/c1-11-19-14(9-26-11)12-4-2-5-13(8-12)20-16(23)10-27-18-22-21-17(25-18)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,20,23)
InChIKeyOIMNVWDBCICQIV-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.49
Rot. Bonds6

About 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 18171324) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID18171324
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3nnc(-c4ccco4)o3)c2)cs1
InChIInChI=1S/C18H14N4O3S2/c1-11-19-14(9-26-11)12-4-2-5-13(8-12)20-16(23)10-27-18-22-21-17(25-18)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,20,23)
InChIKeyOIMNVWDBCICQIV-UHFFFAOYSA-N
XLogP4.49
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
methyl 3-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 1160631
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2200770
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 692406
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2430503
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27789109
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 4602162
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 9438736
ethyl 2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 3388435
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 1303799
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46805241

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 18171324) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CSc3nnc(-c4ccco4)o3)c2)cs1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is OIMNVWDBCICQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c1-11-19-14(9-26-11)12-4-2-5-13(8-12)20-16(23)10-27-18-22-21-17(25-18)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,20,23).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 18171324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).