5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

C8H6ClN5OS — CID 106895536

IUPAC5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1cccnn1)c1nnc(Cl)s1
InChIInChI=1S/C8H6ClN5OS/c9-8-14-13-7(16-8)6(15)10-4-5-2-1-3-11-12-5/h1-3H,4H2,(H,10,15)
InChIKeyOSLWHLOSNLKPNW-UHFFFAOYSA-N
MW255.69 g/mol
LogP0.91
Rot. Bonds3

About 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106895536) has the molecular formula C8H6ClN5OS and a molecular weight of 255.69 g/mol. Its IUPAC name is 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID106895536
Molecular FormulaC8H6ClN5OS
Molecular Weight255.69 g/mol
Exact Mass255.00
IUPAC Name5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1cccnn1)c1nnc(Cl)s1
InChIInChI=1S/C8H6ClN5OS/c9-8-14-13-7(16-8)6(15)10-4-5-2-1-3-11-12-5/h1-3H,4H2,(H,10,15)
InChIKeyOSLWHLOSNLKPNW-UHFFFAOYSA-N
XLogP0.91
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106832257
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
5-chloro-N-[(4-nitrophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624993
2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
CID 106832238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 106895536) is 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is O=C(NCc1cccnn1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OSLWHLOSNLKPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5OS/c9-8-14-13-7(16-8)6(15)10-4-5-2-1-3-11-12-5/h1-3H,4H2,(H,10,15).
What are the key properties of 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 255.69 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106895536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).