2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide

C19H26N4O2S — CID 92866129

IUPAC2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)NCCN3CCCC[C@H]3C)cc2s1
InChIInChI=1S/C19H26N4O2S/c1-13-5-3-4-9-23(13)10-8-20-18(25)12-15-6-7-16-17(11-15)26-19(22-16)21-14(2)24/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,20,25)(H,21,22,24)/t13-/m1/s1
InChIKeyJJZCRMSGXGBDSR-CYBMUJFWSA-N
MW374.51 g/mol
LogP2.79
Rot. Bonds6

About 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide

2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide (PubChem CID 92866129) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
PubChem CID92866129
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)NCCN3CCCC[C@H]3C)cc2s1
InChIInChI=1S/C19H26N4O2S/c1-13-5-3-4-9-23(13)10-8-20-18(25)12-15-6-7-16-17(11-15)26-19(22-16)21-14(2)24/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,20,25)(H,21,22,24)/t13-/m1/s1
InChIKeyJJZCRMSGXGBDSR-CYBMUJFWSA-N
XLogP2.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866128
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60974238
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
ethyl 1-[2-(2-acetamido-1,3-benzothiazol-6-yl)acetyl]piperidine-4-carboxylate
CID 46289648
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 20889684
2-(4-acetamidophenyl)-6-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 46375393
2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 92879171
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
CID 46290973
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
CID 164633773
2-N-(4-fluorophenyl)-5-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 92875795
6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 108778408

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide (CID 92866129) is 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide is CC(=O)Nc1nc2ccc(CC(=O)NCCN3CCCC[C@H]3C)cc2s1.
What is the InChIKey of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide?
The InChIKey is JJZCRMSGXGBDSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-5-3-4-9-23(13)10-8-20-18(25)12-15-6-7-16-17(11-15)26-19(22-16)21-14(2)24/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,20,25)(H,21,22,24)/t13-/m1/s1.
What are the key properties of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide?
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 92866129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).