N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C18H16N6O2S2 — CID 16580689

IUPACN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C18H16N6O2S2/c1-13-4-6-14(7-5-13)11-22-8-10-28-17(22)19-15(25)12-23-18(26)24(21-20-23)16-3-2-9-27-16/h2-10H,11-12H2,1H3/b19-17-
InChIKeyCEWUBXZQHZLPFB-ZPHPHTNESA-N
MW412.50 g/mol
LogP1.84
Rot. Bonds5

About N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 16580689) has the molecular formula C18H16N6O2S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID16580689
Molecular FormulaC18H16N6O2S2
Molecular Weight412.50 g/mol
Exact Mass412.08
IUPAC NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C18H16N6O2S2/c1-13-4-6-14(7-5-13)11-22-8-10-28-17(22)19-15(25)12-23-18(26)24(21-20-23)16-3-2-9-27-16/h2-10H,11-12H2,1H3/b19-17-
InChIKeyCEWUBXZQHZLPFB-ZPHPHTNESA-N
XLogP1.84
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 16580689) is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is Cc1ccc(Cn2ccs/c2=N\C(=O)Cn2nnn(-c3cccs3)c2=O)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is CEWUBXZQHZLPFB-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H16N6O2S2/c1-13-4-6-14(7-5-13)11-22-8-10-28-17(22)19-15(25)12-23-18(26)24(21-20-23)16-3-2-9-27-16/h2-10H,11-12H2,1H3/b19-17-.
What are the key properties of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 412.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 16580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).