N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide

C19H24N4O2S — CID 46320385

IUPACN-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(CCCC(=O)N2CCCCC2)s1
InChIInChI=1S/C19H24N4O2S/c1-14-8-3-4-9-15(14)20-18(25)19-22-21-16(26-19)10-7-11-17(24)23-12-5-2-6-13-23/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,20,25)
InChIKeyKXVZWZGQRZXLKM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.43
Rot. Bonds6

About N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide

N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46320385) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID46320385
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(CCCC(=O)N2CCCCC2)s1
InChIInChI=1S/C19H24N4O2S/c1-14-8-3-4-9-15(14)20-18(25)19-22-21-16(26-19)10-7-11-17(24)23-12-5-2-6-13-23/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,20,25)
InChIKeyKXVZWZGQRZXLKM-UHFFFAOYSA-N
XLogP3.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide (CID 46320385) is N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide is Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N2CCCCC2)s1.
What is the InChIKey of N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KXVZWZGQRZXLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-8-3-4-9-15(14)20-18(25)19-22-21-16(26-19)10-7-11-17(24)23-12-5-2-6-13-23/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,20,25).
What are the key properties of N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide?
N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-(4-oxo-4-piperidin-1-ylbutyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46320385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).