N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

C18H21N5O2S — CID 171997837

IUPACN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc2sc(N3CCCC(NC(=O)c4cnn(C)c4)C3)nc2c1
InChIInChI=1S/C18H21N5O2S/c1-22-10-12(9-19-22)17(24)20-13-4-3-7-23(11-13)18-21-15-8-14(25-2)5-6-16(15)26-18/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,20,24)
InChIKeySRLBVZGGLYDFAC-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171997837) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171997837
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc2sc(N3CCCC(NC(=O)c4cnn(C)c4)C3)nc2c1
InChIInChI=1S/C18H21N5O2S/c1-22-10-12(9-19-22)17(24)20-13-4-3-7-23(11-13)18-21-15-8-14(25-2)5-6-16(15)26-18/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,20,24)
InChIKeySRLBVZGGLYDFAC-UHFFFAOYSA-N
XLogP2.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997524
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide
CID 175651185
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171997770
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
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892678
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 171997837) is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is COc1ccc2sc(N3CCCC(NC(=O)c4cnn(C)c4)C3)nc2c1.
What is the InChIKey of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is SRLBVZGGLYDFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-22-10-12(9-19-22)17(24)20-13-4-3-7-23(11-13)18-21-15-8-14(25-2)5-6-16(15)26-18/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171997837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).