N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H18N4O3S3 — CID 16803628

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H18N4O3S3/c23-17(21-18-20-15(12-27-18)14-4-1-2-8-19-14)13-6-9-22(10-7-13)28(24,25)16-5-3-11-26-16/h1-5,8,11-13H,6-7,9-10H2,(H,20,21,23)
InChIKeyXYFFKKFQJHAHDL-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.31
Rot. Bonds5

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 16803628) has the molecular formula C18H18N4O3S3 and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID16803628
Molecular FormulaC18H18N4O3S3
Molecular Weight434.57 g/mol
Exact Mass434.05
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H18N4O3S3/c23-17(21-18-20-15(12-27-18)14-4-1-2-8-19-14)13-6-9-22(10-7-13)28(24,25)16-5-3-11-26-16/h1-5,8,11-13H,6-7,9-10H2,(H,20,21,23)
InChIKeyXYFFKKFQJHAHDL-UHFFFAOYSA-N
XLogP3.31
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide
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N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2550042
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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 16803628) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is XYFFKKFQJHAHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S3/c23-17(21-18-20-15(12-27-18)14-4-1-2-8-19-14)13-6-9-22(10-7-13)28(24,25)16-5-3-11-26-16/h1-5,8,11-13H,6-7,9-10H2,(H,20,21,23).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16803628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).