5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine

C14H16N4OS — CID 106369399

IUPAC5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCCc1cnc(CNc2cc3nc(C)sc3cc2N)o1
InChIInChI=1S/C14H16N4OS/c1-3-9-6-17-14(19-9)7-16-11-5-12-13(4-10(11)15)20-8(2)18-12/h4-6,16H,3,7,15H2,1-2H3
InChIKeyIFBKPJRXLLDJSV-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.35
Rot. Bonds4

About 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine

5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine (PubChem CID 106369399) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine.

Molecular Properties

Compound Name5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine
PubChem CID106369399
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCCc1cnc(CNc2cc3nc(C)sc3cc2N)o1
InChIInChI=1S/C14H16N4OS/c1-3-9-6-17-14(19-9)7-16-11-5-12-13(4-10(11)15)20-8(2)18-12/h4-6,16H,3,7,15H2,1-2H3
InChIKeyIFBKPJRXLLDJSV-UHFFFAOYSA-N
XLogP3.35
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine 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 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine?
The IUPAC name of 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine (CID 106369399) is 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine.
What is the SMILES notation for 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine?
The canonical SMILES for 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine is CCc1cnc(CNc2cc3nc(C)sc3cc2N)o1.
What is the InChIKey of 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine?
The InChIKey is IFBKPJRXLLDJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-9-6-17-14(19-9)7-16-11-5-12-13(4-10(11)15)20-8(2)18-12/h4-6,16H,3,7,15H2,1-2H3.
What are the key properties of 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine?
5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine has a molecular weight of 288.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine is sourced from PubChem (CID 106369399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).