N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide

C19H21N5O2S — CID 175651152

IUPACN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(NC(=O)c4ccncn4)C3)sc2c1
InChIInChI=1S/C19H21N5O2S/c1-2-26-14-5-6-15-17(10-14)27-19(23-15)24-9-3-4-13(11-24)22-18(25)16-7-8-20-12-21-16/h5-8,10,12-13H,2-4,9,11H2,1H3,(H,22,25)
InChIKeyNOFMXVHULNPJSC-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.88
Rot. Bonds5

About N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide

N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 175651152) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID175651152
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(NC(=O)c4ccncn4)C3)sc2c1
InChIInChI=1S/C19H21N5O2S/c1-2-26-14-5-6-15-17(10-14)27-19(23-15)24-9-3-4-13(11-24)22-18(25)16-7-8-20-12-21-16/h5-8,10,12-13H,2-4,9,11H2,1H3,(H,22,25)
InChIKeyNOFMXVHULNPJSC-UHFFFAOYSA-N
XLogP2.88
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide
CID 175651185
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 20883813
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124771992
(3S)-N-(5-chloro-2-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92667728
N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883798
(3,5-dimethylpiperidin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 20883866
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 124772392
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883828
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997949
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650547

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide (CID 175651152) is N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide is CCOc1ccc2nc(N3CCCC(NC(=O)c4ccncn4)C3)sc2c1.
What is the InChIKey of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is NOFMXVHULNPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-2-26-14-5-6-15-17(10-14)27-19(23-15)24-9-3-4-13(11-24)22-18(25)16-7-8-20-12-21-16/h5-8,10,12-13H,2-4,9,11H2,1H3,(H,22,25).
What are the key properties of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175651152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).