N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H23N5OS — CID 120919360

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3(n4cccn4)CCNCC3)sc2C1
InChIInChI=1S/C17H23N5OS/c1-12-3-4-13-14(11-12)24-16(20-13)21-15(23)17(5-8-18-9-6-17)22-10-2-7-19-22/h2,7,10,12,18H,3-6,8-9,11H2,1H3,(H,20,21,23)
InChIKeyKJOBJKITVVLUQY-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.18
Rot. Bonds3

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120919360) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120919360
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3(n4cccn4)CCNCC3)sc2C1
InChIInChI=1S/C17H23N5OS/c1-12-3-4-13-14(11-12)24-16(20-13)21-15(23)17(5-8-18-9-6-17)22-10-2-7-19-22/h2,7,10,12,18H,3-6,8-9,11H2,1H3,(H,20,21,23)
InChIKeyKJOBJKITVVLUQY-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 5173800
N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930905
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
2-(4-fluorophenyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 7597148
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 47199587
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920278
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 51083284
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
methyl 3-[5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]propanoate;hydrochloride
CID 120933901

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120919360) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is CC1CCc2nc(NC(=O)C3(n4cccn4)CCNCC3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is KJOBJKITVVLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-3-4-13-14(11-12)24-16(20-13)21-15(23)17(5-8-18-9-6-17)22-10-2-7-19-22/h2,7,10,12,18H,3-6,8-9,11H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120919360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).