4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide

C13H12N4OS2 — CID 7424204

IUPAC4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H12N4OS2/c1-3-8-11(20-17-16-8)12(18)15-13-14-9-5-4-7(2)6-10(9)19-13/h4-6H,3H2,1-2H3,(H,14,15,18)
InChIKeyYJHAJICWZHYONH-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.27
Rot. Bonds3

About 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide

4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 7424204) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide
PubChem CID7424204
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H12N4OS2/c1-3-8-11(20-17-16-8)12(18)15-13-14-9-5-4-7(2)6-10(9)19-13/h4-6H,3H2,1-2H3,(H,14,15,18)
InChIKeyYJHAJICWZHYONH-UHFFFAOYSA-N
XLogP3.27
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide (CID 7424204) is 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide?
The InChIKey is YJHAJICWZHYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-3-8-11(20-17-16-8)12(18)15-13-14-9-5-4-7(2)6-10(9)19-13/h4-6H,3H2,1-2H3,(H,14,15,18).
What are the key properties of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 7424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).