N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide

C22H25N5O3S — CID 134203953

IUPACN-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)CN4CCC(O)CC4)c3)cc2s1
InChIInChI=1S/C22H25N5O3S/c1-13-19(25-21(30)12-27-7-5-17(29)6-8-27)9-16(11-23-13)15-3-4-18-20(10-15)31-22(26-18)24-14(2)28/h3-4,9-11,17,29H,5-8,12H2,1-2H3,(H,25,30)(H,24,26,28)
InChIKeyZUZKEHUHJFDHFY-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.02
Rot. Bonds5

About N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide

N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 134203953) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID134203953
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)CN4CCC(O)CC4)c3)cc2s1
InChIInChI=1S/C22H25N5O3S/c1-13-19(25-21(30)12-27-7-5-17(29)6-8-27)9-16(11-23-13)15-3-4-18-20(10-15)31-22(26-18)24-14(2)28/h3-4,9-11,17,29H,5-8,12H2,1-2H3,(H,25,30)(H,24,26,28)
InChIKeyZUZKEHUHJFDHFY-UHFFFAOYSA-N
XLogP3.02
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533
N-[6-[6-methyl-5-[(2-phenylacetyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]propanamide
CID 134203947
(4,4-difluorocyclohexyl) N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
CID 166636378
N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55916766
cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate
CID 134203956
cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203913
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
N-[6-(6-ethyl-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 118721835
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594547
cycloheptyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142508019

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide (CID 134203953) is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide is CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)CN4CCC(O)CC4)c3)cc2s1.
What is the InChIKey of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is ZUZKEHUHJFDHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-13-19(25-21(30)12-27-7-5-17(29)6-8-27)9-16(11-23-13)15-3-4-18-20(10-15)31-22(26-18)24-14(2)28/h3-4,9-11,17,29H,5-8,12H2,1-2H3,(H,25,30)(H,24,26,28).
What are the key properties of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 134203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).