4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide

C15H18N4O3S2 — CID 9073761

IUPAC4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H18N4O3S2/c1-11-14(23-18-17-11)15(20)16-12-5-7-13(8-6-12)24(21,22)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3,(H,16,20)
InChIKeyCCSVUQNXPGRFHJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.27
Rot. Bonds4

About 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide

4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide (PubChem CID 9073761) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide
PubChem CID9073761
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H18N4O3S2/c1-11-14(23-18-17-11)15(20)16-12-5-7-13(8-6-12)24(21,22)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3,(H,16,20)
InChIKeyCCSVUQNXPGRFHJ-UHFFFAOYSA-N
XLogP2.27
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide (CID 9073761) is 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide?
The InChIKey is CCSVUQNXPGRFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-11-14(23-18-17-11)15(20)16-12-5-7-13(8-6-12)24(21,22)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide?
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 9073761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).