1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide

C19H20N4O2S — CID 71802535

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESCOc1ccc2nc(N3CCCC(C(=O)Nc4cccnc4)C3)sc2c1
InChIInChI=1S/C19H20N4O2S/c1-25-15-6-7-16-17(10-15)26-19(22-16)23-9-3-4-13(12-23)18(24)21-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,24)
InChIKeyXPLGNNSYQYUJPP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.56
Rot. Bonds4

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide (PubChem CID 71802535) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
PubChem CID71802535
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESCOc1ccc2nc(N3CCCC(C(=O)Nc4cccnc4)C3)sc2c1
InChIInChI=1S/C19H20N4O2S/c1-25-15-6-7-16-17(10-15)26-19(22-16)23-9-3-4-13(12-23)18(24)21-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,24)
InChIKeyXPLGNNSYQYUJPP-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylphenyl)piperidine-3-carboxamide
CID 90611939
N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90612054
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 90612068
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 90612016
N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53007595
N-[2-(azepan-1-yl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 156601314
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90612052
N-[2-(4-chlorophenyl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 22422121
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 15992581

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide (CID 71802535) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide is COc1ccc2nc(N3CCCC(C(=O)Nc4cccnc4)C3)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The InChIKey is XPLGNNSYQYUJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-15-6-7-16-17(10-15)26-19(22-16)23-9-3-4-13(12-23)18(24)21-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,24).
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide?
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71802535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).