N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide

C12H10N4OS2 — CID 99825241

IUPACN-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C12H10N4OS2/c1-2-9-11(19-16-15-9)12(17)14-8-3-4-10-7(5-8)6-13-18-10/h3-6H,2H2,1H3,(H,14,17)
InChIKeyMRDKOWWKWCJNRC-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.96
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide

N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 99825241) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID99825241
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC NameN-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C12H10N4OS2/c1-2-9-11(19-16-15-9)12(17)14-8-3-4-10-7(5-8)6-13-18-10/h3-6H,2H2,1H3,(H,14,17)
InChIKeyMRDKOWWKWCJNRC-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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Related Compounds

N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
CID 99823346
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65209990
4-ethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthiadiazole-5-carboxamide
CID 17412093

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide (CID 99825241) is N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc2sncc2c1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is MRDKOWWKWCJNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c1-2-9-11(19-16-15-9)12(17)14-8-3-4-10-7(5-8)6-13-18-10/h3-6H,2H2,1H3,(H,14,17).
What are the key properties of N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide?
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-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-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 99825241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).