2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H21N5O3S2 — CID 121020386

IUPAC2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1c2ccccc2N(C2CCN(CC(=O)Nc3nccs3)CC2)S1(=O)=O
InChIInChI=1S/C17H21N5O3S2/c1-20-14-4-2-3-5-15(14)22(27(20,24)25)13-6-9-21(10-7-13)12-16(23)19-17-18-8-11-26-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,18,19,23)
InChIKeyMHJVVTMZUROWBV-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.75
Rot. Bonds4

About 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 121020386) has the molecular formula C17H21N5O3S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID121020386
Molecular FormulaC17H21N5O3S2
Molecular Weight407.52 g/mol
Exact Mass407.11
IUPAC Name2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1c2ccccc2N(C2CCN(CC(=O)Nc3nccs3)CC2)S1(=O)=O
InChIInChI=1S/C17H21N5O3S2/c1-20-14-4-2-3-5-15(14)22(27(20,24)25)13-6-9-21(10-7-13)12-16(23)19-17-18-8-11-26-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,18,19,23)
InChIKeyMHJVVTMZUROWBV-UHFFFAOYSA-N
XLogP1.75
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide
CID 121020389
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16674348
2-[(4R)-4-[benzylsulfonyl(methyl)amino]azepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92634989
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3670245
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 18142778
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 121020386) is 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CN1c2ccccc2N(C2CCN(CC(=O)Nc3nccs3)CC2)S1(=O)=O.
What is the InChIKey of 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MHJVVTMZUROWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S2/c1-20-14-4-2-3-5-15(14)22(27(20,24)25)13-6-9-21(10-7-13)12-16(23)19-17-18-8-11-26-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,18,19,23).
What are the key properties of 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 407.52 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 121020386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).