N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide

C16H14N4O2S — CID 141005855

IUPACN-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide
SMILESN/C(=N\c1ccc(NC(=O)Cc2ccno2)cc1)c1cccs1
InChIInChI=1S/C16H14N4O2S/c17-16(14-2-1-9-23-14)20-12-5-3-11(4-6-12)19-15(21)10-13-7-8-18-22-13/h1-9H,10H2,(H2,17,20)(H,19,21)
InChIKeyHFKOYXLOPCUYSN-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.95
Rot. Bonds5

About N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide

N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide (PubChem CID 141005855) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide
PubChem CID141005855
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide
SMILESN/C(=N\c1ccc(NC(=O)Cc2ccno2)cc1)c1cccs1
InChIInChI=1S/C16H14N4O2S/c17-16(14-2-1-9-23-14)20-12-5-3-11(4-6-12)19-15(21)10-13-7-8-18-22-13/h1-9H,10H2,(H2,17,20)(H,19,21)
InChIKeyHFKOYXLOPCUYSN-UHFFFAOYSA-N
XLogP2.95
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[2-(1,2-oxazol-5-yl)ethoxy]phenyl]thiophene-2-carboximidamide
CID 141005851
3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,1-diphenylurea
CID 19353824
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
CID 19353808
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(4-phenoxyphenyl)butanamide
CID 22646356
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] thiophene-2-carboxylate
CID 4597016
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-bromophenyl)acetamide
CID 47118141
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 18765747

Frequently Asked Questions

What is the IUPAC name of N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide (CID 141005855) is N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide is N/C(=N\c1ccc(NC(=O)Cc2ccno2)cc1)c1cccs1.
What is the InChIKey of N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide?
The InChIKey is HFKOYXLOPCUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c17-16(14-2-1-9-23-14)20-12-5-3-11(4-6-12)19-15(21)10-13-7-8-18-22-13/h1-9H,10H2,(H2,17,20)(H,19,21).
What are the key properties of N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide?
N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 141005855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).