2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide

C15H18N4O3S2 — CID 22517504

IUPAC2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C15H18N4O3S2/c1-11-7-3-4-8-12(11)13(20)16-14-17-18-15(23-14)24(21,22)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17,20)
InChIKeyRRNPEYMKRCDVLY-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide

2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 22517504) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID22517504
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C15H18N4O3S2/c1-11-7-3-4-8-12(11)13(20)16-14-17-18-15(23-14)24(21,22)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17,20)
InChIKeyRRNPEYMKRCDVLY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide (CID 22517504) is 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RRNPEYMKRCDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-11-7-3-4-8-12(11)13(20)16-14-17-18-15(23-14)24(21,22)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17,20).
What are the key properties of 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide 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 2-methyl-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 22517504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).