1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

C16H20N4O3S2 — CID 110317941

IUPAC1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C16H20N4O3S2/c1-25(22,23)20-8-5-12(6-9-20)16(21)18-10-15-19-14(11-24-15)13-4-2-3-7-17-13/h2-4,7,11-12H,5-6,8-10H2,1H3,(H,18,21)
InChIKeyWDXAXRBUHWHTTK-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.49
Rot. Bonds5

About 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 110317941) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID110317941
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C16H20N4O3S2/c1-25(22,23)20-8-5-12(6-9-20)16(21)18-10-15-19-14(11-24-15)13-4-2-3-7-17-13/h2-4,7,11-12H,5-6,8-10H2,1H3,(H,18,21)
InChIKeyWDXAXRBUHWHTTK-UHFFFAOYSA-N
XLogP1.49
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 126837101
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 91630198
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882605
1-tert-butyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 126837100
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119882610
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110317876

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (CID 110317941) is 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WDXAXRBUHWHTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-25(22,23)20-8-5-12(6-9-20)16(21)18-10-15-19-14(11-24-15)13-4-2-3-7-17-13/h2-4,7,11-12H,5-6,8-10H2,1H3,(H,18,21).
What are the key properties of 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110317941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).