N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

C16H19N3O3S2 — CID 2094935

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C16H19N3O3S2/c1-12-11-23-16(17-12)18-15(20)13-6-5-7-14(10-13)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
InChIKeyJQVIEITWSHTTHY-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.88
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2094935) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2094935
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C16H19N3O3S2/c1-12-11-23-16(17-12)18-15(20)13-6-5-7-14(10-13)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
InChIKeyJQVIEITWSHTTHY-UHFFFAOYSA-N
XLogP2.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 2094935) is N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is JQVIEITWSHTTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12-11-23-16(17-12)18-15(20)13-6-5-7-14(10-13)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2094935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).