N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine

C17H15Cl2N7S — CID 19585490

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 19585490) has the molecular formula C17H15Cl2N7S and a molecular weight of 420.33 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 19585490
• Molecular Formula: C17H15Cl2N7S
• Molecular Weight: 420.33 g/mol
• Exact Mass: 419.05
• IUPAC Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
• SMILES: Cc1cc(-c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)nn1C
• InChI: InChI=1S/C17H15Cl2N7S/c1-10-8-14(23-25(10)2)16-21-22-17(27-16)20-15-6-7-26(24-15)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3,(H,20,22,24)
• InChIKey: CKNAUHDLLYTKLK-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.33
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (CID 19585490) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is Cc1cc(-c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)nn1C.

What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?

The InChIKey is CKNAUHDLLYTKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N7S/c1-10-8-14(23-25(10)2)16-21-22-17(27-16)20-15-6-7-26(24-15)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3,(H,20,22,24).

What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 420.33 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 19585490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).