5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

C11H9N5O2S2 — CID 80617590

IUPAC5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3nnc(N)s3)sc2c1
InChIInChI=1S/C11H9N5O2S2/c1-18-5-2-3-6-7(4-5)19-11(13-6)14-8(17)9-15-16-10(12)20-9/h2-4H,1H3,(H2,12,16)(H,13,14,17)
InChIKeyOJHHXNAFAHWDJQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.99
Rot. Bonds3

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

5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617590) has the molecular formula C11H9N5O2S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617590
Molecular FormulaC11H9N5O2S2
Molecular Weight307.36 g/mol
Exact Mass307.02
IUPAC Name5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3nnc(N)s3)sc2c1
InChIInChI=1S/C11H9N5O2S2/c1-18-5-2-3-6-7(4-5)19-11(13-6)14-8(17)9-15-16-10(12)20-9/h2-4H,1H3,(H2,12,16)(H,13,14,17)
InChIKeyOJHHXNAFAHWDJQ-UHFFFAOYSA-N
XLogP1.99
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355459
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18126513
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 39046251

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617590) is 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is COc1ccc2nc(NC(=O)c3nnc(N)s3)sc2c1.
What is the InChIKey of 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OJHHXNAFAHWDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S2/c1-18-5-2-3-6-7(4-5)19-11(13-6)14-8(17)9-15-16-10(12)20-9/h2-4H,1H3,(H2,12,16)(H,13,14,17).
What are the key properties of 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).