N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide

C19H20N4O2S — CID 166190921

IUPACN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H20N4O2S/c1-25-18-14(5-4-10-20-18)17(24)21-13-8-11-23(12-9-13)19-22-15-6-2-3-7-16(15)26-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyVJSOFPXJPFFFDO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 166190921) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide
PubChem CID166190921
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H20N4O2S/c1-25-18-14(5-4-10-20-18)17(24)21-13-8-11-23(12-9-13)19-22-15-6-2-3-7-16(15)26-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyVJSOFPXJPFFFDO-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-methoxybenzamide
CID 121109207
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)urea
CID 23609690
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033
4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 11610179
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,6-dimethoxybenzamide
CID 121109264
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268244
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide (CID 166190921) is N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is VJSOFPXJPFFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-18-14(5-4-10-20-18)17(24)21-13-8-11-23(12-9-13)19-22-15-6-2-3-7-16(15)26-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 166190921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).