N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C19H24N4O3S2 — CID 43063466

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)sc2C1
InChIInChI=1S/C19H24N4O3S2/c1-13-4-5-16-17(11-13)27-19(21-16)22-18(24)14-6-9-23(10-7-14)28(25,26)15-3-2-8-20-12-15/h2-3,8,12-14H,4-7,9-11H2,1H3,(H,21,22,24)
InChIKeyPPUMXIJXQLOGQH-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.70
Rot. Bonds4

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43063466) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID43063466
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)sc2C1
InChIInChI=1S/C19H24N4O3S2/c1-13-4-5-16-17(11-13)27-19(21-16)22-18(24)14-6-9-23(10-7-14)28(25,26)15-3-2-8-20-12-15/h2-3,8,12-14H,4-7,9-11H2,1H3,(H,21,22,24)
InChIKeyPPUMXIJXQLOGQH-UHFFFAOYSA-N
XLogP2.70
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-methylsulfonylphenyl)sulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16828552
N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 41397830
1-(4-fluorophenyl)sulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246356
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46436053
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60572157
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649
1-(1-methylpiperidine-4-carbonyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246358
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 43063466) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CC1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PPUMXIJXQLOGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-13-4-5-16-17(11-13)27-19(21-16)22-18(24)14-6-9-23(10-7-14)28(25,26)15-3-2-8-20-12-15/h2-3,8,12-14H,4-7,9-11H2,1H3,(H,21,22,24).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43063466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).