N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine

C18H22N4O3S — CID 155799470

IUPACN-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1nc(CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)co1
InChIInChI=1S/C18H22N4O3S/c1-13-19-14(12-25-13)11-22-9-7-15(8-10-22)21(2)18-16-5-3-4-6-17(16)26(23,24)20-18/h3-6,12,15H,7-11H2,1-2H3
InChIKeyHFKXLTPDLKVIQJ-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine

N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 155799470) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID155799470
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1nc(CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)co1
InChIInChI=1S/C18H22N4O3S/c1-13-19-14(12-25-13)11-22-9-7-15(8-10-22)21(2)18-16-5-3-4-6-17(16)26(23,24)20-18/h3-6,12,15H,7-11H2,1-2H3
InChIKeyHFKXLTPDLKVIQJ-UHFFFAOYSA-N
XLogP2.03
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine
CID 163345206
N-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 155799636
N-methyl-1,1-dioxo-N-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]-1,2-benzothiazol-3-amine
CID 154829031
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]cyclohexan-1-one
CID 79120610
5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 155980999
N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 155798603
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
N-methyl-N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 154829388
2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126874266
N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166602686
1-(4-aminopiperidin-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone;hydrochloride
CID 119373569
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32917313

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine (CID 155799470) is N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine is Cc1nc(CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)co1.
What is the InChIKey of N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is HFKXLTPDLKVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-19-14(12-25-13)11-22-9-7-15(8-10-22)21(2)18-16-5-3-4-6-17(16)26(23,24)20-18/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 374.47 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 155799470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).