2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C13H14N6O2S2 — CID 1452234

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C13H14N6O2S2/c1-3-19-13(16-17-18-19)22-7-11(20)15-12-14-9-5-4-8(21-2)6-10(9)23-12/h4-6H,3,7H2,1-2H3,(H,14,15,20)
InChIKeyHEYURGPYNWALKT-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.04
Rot. Bonds6

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1452234) has the molecular formula C13H14N6O2S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID1452234
Molecular FormulaC13H14N6O2S2
Molecular Weight350.43 g/mol
Exact Mass350.06
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C13H14N6O2S2/c1-3-19-13(16-17-18-19)22-7-11(20)15-12-14-9-5-4-8(21-2)6-10(9)23-12/h4-6H,3,7H2,1-2H3,(H,14,15,20)
InChIKeyHEYURGPYNWALKT-UHFFFAOYSA-N
XLogP2.04
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 1452234) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is CCn1nnnc1SCC(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HEYURGPYNWALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S2/c1-3-19-13(16-17-18-19)22-7-11(20)15-12-14-9-5-4-8(21-2)6-10(9)23-12/h4-6H,3,7H2,1-2H3,(H,14,15,20).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1452234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).