N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C12H10N4OS2 — CID 2089669

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3ncsc3c2)s1
InChIInChI=1S/C12H10N4OS2/c1-2-10-15-16-12(19-10)14-11(17)7-3-4-8-9(5-7)18-6-13-8/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyWSNKWMHNPFNALL-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.96
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2089669) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID2089669
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3ncsc3c2)s1
InChIInChI=1S/C12H10N4OS2/c1-2-10-15-16-12(19-10)14-11(17)7-3-4-8-9(5-7)18-6-13-8/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyWSNKWMHNPFNALL-UHFFFAOYSA-N
XLogP2.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 2089669) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide is CCc1nnc(NC(=O)c2ccc3ncsc3c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is WSNKWMHNPFNALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c1-2-10-15-16-12(19-10)14-11(17)7-3-4-8-9(5-7)18-6-13-8/h3-6H,2H2,1H3,(H,14,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2089669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).