5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

C15H16ClN5S — CID 128727736

IUPAC5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCCC2c2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C15H16ClN5S/c1-9-17-15(22-20-9)21-7-3-2-4-13(21)14-18-11-6-5-10(16)8-12(11)19-14/h5-6,8,13H,2-4,7H2,1H3,(H,18,19)
InChIKeyLJQTXNIZSYLNOA-UHFFFAOYSA-N
MW333.85 g/mol
LogP4.11
Rot. Bonds2

About 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 128727736) has the molecular formula C15H16ClN5S and a molecular weight of 333.85 g/mol. Its IUPAC name is 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID128727736
Molecular FormulaC15H16ClN5S
Molecular Weight333.85 g/mol
Exact Mass333.08
IUPAC Name5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCCC2c2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C15H16ClN5S/c1-9-17-15(22-20-9)21-7-3-2-4-13(21)14-18-11-6-5-10(16)8-12(11)19-14/h5-6,8,13H,2-4,7H2,1H3,(H,18,19)
InChIKeyLJQTXNIZSYLNOA-UHFFFAOYSA-N
XLogP4.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 128727736) is 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCCCC2c2nc3ccc(Cl)cc3[nH]2)n1.
What is the InChIKey of 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is LJQTXNIZSYLNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5S/c1-9-17-15(22-20-9)21-7-3-2-4-13(21)14-18-11-6-5-10(16)8-12(11)19-14/h5-6,8,13H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 333.85 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 128727736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).