N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

C21H27N5OS — CID 172892732

IUPACN-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1ccc2nc(N3CCC(CN(C)C(=O)c4cnn(C)c4)CC3)sc2c1
InChIInChI=1S/C21H27N5OS/c1-4-15-5-6-18-19(11-15)28-21(23-18)26-9-7-16(8-10-26)13-24(2)20(27)17-12-22-25(3)14-17/h5-6,11-12,14,16H,4,7-10,13H2,1-3H3
InChIKeyBSXPILVRICKQAJ-UHFFFAOYSA-N
MW397.55 g/mol
LogP3.58
Rot. Bonds5

About N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 172892732) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID172892732
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC NameN-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1ccc2nc(N3CCC(CN(C)C(=O)c4cnn(C)c4)CC3)sc2c1
InChIInChI=1S/C21H27N5OS/c1-4-15-5-6-18-19(11-15)28-21(23-18)26-9-7-16(8-10-26)13-24(2)20(27)17-12-22-25(3)14-17/h5-6,11-12,14,16H,4,7-10,13H2,1-3H3
InChIKeyBSXPILVRICKQAJ-UHFFFAOYSA-N
XLogP3.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171997770
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997524
1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691603
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882011
[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108756308
N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881038
1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 15987809
2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172891718
[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903276
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172881197
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 22422089
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881291

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 172892732) is N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is CCc1ccc2nc(N3CCC(CN(C)C(=O)c4cnn(C)c4)CC3)sc2c1.
What is the InChIKey of N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BSXPILVRICKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-4-15-5-6-18-19(11-15)28-21(23-18)26-9-7-16(8-10-26)13-24(2)20(27)17-12-22-25(3)14-17/h5-6,11-12,14,16H,4,7-10,13H2,1-3H3.
What are the key properties of N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 172892732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).