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

C15H18N4O3S2 — CID 5309258

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H18N4O3S2/c1-11-10-23-15(17-11)18-14(20)12-4-3-7-19(9-12)24(21,22)13-5-2-6-16-8-13/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,17,18,20)
InChIKeyJVRLSFBDINVKAA-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.89
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5309258) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID5309258
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H18N4O3S2/c1-11-10-23-15(17-11)18-14(20)12-4-3-7-19(9-12)24(21,22)13-5-2-6-16-8-13/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,17,18,20)
InChIKeyJVRLSFBDINVKAA-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 5309258) is N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JVRLSFBDINVKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-11-10-23-15(17-11)18-14(20)12-4-3-7-19(9-12)24(21,22)13-5-2-6-16-8-13/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5309258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).