2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide

C16H14FN5O3S2 — CID 17048004

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide
SMILESNc1nnc(SCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H14FN5O3S2/c17-11-3-1-10(2-4-11)8-24-14-6-5-12(25-14)7-19-20-13(23)9-26-16-22-21-15(18)27-16/h1-7H,8-9H2,(H2,18,21)(H,20,23)/b19-7+
InChIKeyIIEBHYLGYITYGF-FBCYGCLPSA-N
MW407.45 g/mol
LogP2.67
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide (PubChem CID 17048004) has the molecular formula C16H14FN5O3S2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide
PubChem CID17048004
Molecular FormulaC16H14FN5O3S2
Molecular Weight407.45 g/mol
Exact Mass407.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide
SMILESNc1nnc(SCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H14FN5O3S2/c17-11-3-1-10(2-4-11)8-24-14-6-5-12(25-14)7-19-20-13(23)9-26-16-22-21-15(18)27-16/h1-7H,8-9H2,(H2,18,21)(H,20,23)/b19-7+
InChIKeyIIEBHYLGYITYGF-FBCYGCLPSA-N
XLogP2.67
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(2-chloro-6-methylphenyl)methoxy]furan-2-yl]methylideneamino]acetamide
CID 17048047
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-bromofuran-2-yl)methylideneamino]acetamide
CID 19204425
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19204523
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 6282245
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 135597825
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 19204400
2-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 19204378
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 17047877
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-phenylfuran-2-yl)methylideneamino]acetamide
CID 3800802
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-bromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135597827
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]acetamide
CID 19204411
5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47500614

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide (CID 17048004) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide is Nc1nnc(SCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)o2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide?
The InChIKey is IIEBHYLGYITYGF-FBCYGCLPSA-N. The full InChI is InChI=1S/C16H14FN5O3S2/c17-11-3-1-10(2-4-11)8-24-14-6-5-12(25-14)7-19-20-13(23)9-26-16-22-21-15(18)27-16/h1-7H,8-9H2,(H2,18,21)(H,20,23)/b19-7+.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-[5-[(4-fluorophenyl)methoxy]furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 17048004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).