3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide

C16H13N3O2S2 — CID 176948583

IUPAC3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C/c2ccc(Sc3nccs3)o2)c1
InChIInChI=1S/C16H13N3O2S2/c1-11-3-2-4-12(9-11)15(20)19-18-10-13-5-6-14(21-13)23-16-17-7-8-22-16/h2-10H,1H3,(H,19,20)/b18-10+
InChIKeyAMVGHRGKCPHIJK-VCHYOVAHSA-N
MW343.43 g/mol
LogP3.96
Rot. Bonds5

About 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide

3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 176948583) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide
PubChem CID176948583
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC Name3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C/c2ccc(Sc3nccs3)o2)c1
InChIInChI=1S/C16H13N3O2S2/c1-11-3-2-4-12(9-11)15(20)19-18-10-13-5-6-14(21-13)23-16-17-7-8-22-16/h2-10H,1H3,(H,19,20)/b18-10+
InChIKeyAMVGHRGKCPHIJK-VCHYOVAHSA-N
XLogP3.96
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 5435224
3-fluoro-N-[(E)-(5-pyrimidin-4-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 176948559
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 910531
3-acetamido-N-[[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide
CID 4650922
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
3-methyl-N-[(E)-(1-methylimidazol-2-yl)methylideneamino]benzamide
CID 162738420
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(E)-[5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88862148
N-[(E)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide
CID 46502215
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide (CID 176948583) is 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide is Cc1cccc(C(=O)N/N=C/c2ccc(Sc3nccs3)o2)c1.
What is the InChIKey of 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is AMVGHRGKCPHIJK-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c1-11-3-2-4-12(9-11)15(20)19-18-10-13-5-6-14(21-13)23-16-17-7-8-22-16/h2-10H,1H3,(H,19,20)/b18-10+.
What are the key properties of 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide?
3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-[5-(1,3-thiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 176948583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).