N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide

C18H23N3O3S2 — CID 43062827

IUPACN-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3CNS(C)(=O)=O)cs2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-13-6-8-14(9-7-13)17-20-16(12-25-17)18(22)21-10-4-3-5-15(21)11-19-26(2,23)24/h6-9,12,15,19H,3-5,10-11H2,1-2H3
InChIKeyKLGQVANLPPKBLJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.66
Rot. Bonds5

About N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43062827) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43062827
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3CNS(C)(=O)=O)cs2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-13-6-8-14(9-7-13)17-20-16(12-25-17)18(22)21-10-4-3-5-15(21)11-19-26(2,23)24/h6-9,12,15,19H,3-5,10-11H2,1-2H3
InChIKeyKLGQVANLPPKBLJ-UHFFFAOYSA-N
XLogP2.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide (CID 43062827) is N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide is Cc1ccc(-c2nc(C(=O)N3CCCCC3CNS(C)(=O)=O)cs2)cc1.
What is the InChIKey of N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is KLGQVANLPPKBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-13-6-8-14(9-7-13)17-20-16(12-25-17)18(22)21-10-4-3-5-15(21)11-19-26(2,23)24/h6-9,12,15,19H,3-5,10-11H2,1-2H3.
What are the key properties of N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43062827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).