N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

C21H25N5O4S2 — CID 87658599

IUPACN-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1Oc1ccc2nc(NCC3CCCN(S(C)(=O)=O)C3)sc2c1
InChIInChI=1S/C21H25N5O4S2/c1-22-20(27)19-17(6-3-9-23-19)30-15-7-8-16-18(11-15)31-21(25-16)24-12-14-5-4-10-26(13-14)32(2,28)29/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3,(H,22,27)(H,24,25)
InChIKeyYELRQKWUDSBQFP-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.93
Rot. Bonds7

About N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 87658599) has the molecular formula C21H25N5O4S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
PubChem CID87658599
Molecular FormulaC21H25N5O4S2
Molecular Weight475.60 g/mol
Exact Mass475.13
IUPAC NameN-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1Oc1ccc2nc(NCC3CCCN(S(C)(=O)=O)C3)sc2c1
InChIInChI=1S/C21H25N5O4S2/c1-22-20(27)19-17(6-3-9-23-19)30-15-7-8-16-18(11-15)31-21(25-16)24-12-14-5-4-10-26(13-14)32(2,28)29/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3,(H,22,27)(H,24,25)
InChIKeyYELRQKWUDSBQFP-UHFFFAOYSA-N
XLogP2.93
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79142087
(3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylic acid
CID 88879010
4-[[2-[(1-benzoylpiperidin-3-yl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421251
4-[[2-[(1-cyclohexyl-3-hydroxypropan-2-yl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421242
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106027416
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-phenoxyethanamine
CID 79612346
6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide
CID 67501308
N-(cyclohexylmethyl)-6-(1-methylpyrazolo[5,4-c]pyridazin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 59333487
4-methoxy-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610681
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 43049380
(2S)-1-cyclohexyl-2-[(6-quinolin-4-yloxy-1,3-benzothiazol-2-yl)amino]propan-2-ol
CID 87421206
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-3-methylpyridine-2-carboxylic acid
CID 172855612

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide (CID 87658599) is N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1ncccc1Oc1ccc2nc(NCC3CCCN(S(C)(=O)=O)C3)sc2c1.
What is the InChIKey of N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
The InChIKey is YELRQKWUDSBQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S2/c1-22-20(27)19-17(6-3-9-23-19)30-15-7-8-16-18(11-15)31-21(25-16)24-12-14-5-4-10-26(13-14)32(2,28)29/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3,(H,22,27)(H,24,25).
What are the key properties of N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 87658599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).