N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C19H20N4O3S2 — CID 5307678

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccnc4)C3)sc2c1
InChIInChI=1S/C19H20N4O3S2/c1-13-6-7-16-17(10-13)27-19(21-16)22-18(24)14-4-3-9-23(12-14)28(25,26)15-5-2-8-20-11-15/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H,21,22,24)
InChIKeyZJHKRHBFCBHRDC-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.04
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307678) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307678
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccnc4)C3)sc2c1
InChIInChI=1S/C19H20N4O3S2/c1-13-6-7-16-17(10-13)27-19(21-16)22-18(24)14-4-3-9-23(12-14)28(25,26)15-5-2-8-20-11-15/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H,21,22,24)
InChIKeyZJHKRHBFCBHRDC-UHFFFAOYSA-N
XLogP3.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 5307678) is N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccnc4)C3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZJHKRHBFCBHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-13-6-7-16-17(10-13)27-19(21-16)22-18(24)14-4-3-9-23(12-14)28(25,26)15-5-2-8-20-11-15/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H,21,22,24).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).