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

C17H19N5OS — CID 128977516

IUPAC1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(c3nc4ccccc4s3)C2)n1
InChIInChI=1S/C17H19N5OS/c1-18-16(23)14-8-10-22(20-14)12-5-4-9-21(11-12)17-19-13-6-2-3-7-15(13)24-17/h2-3,6-8,10,12H,4-5,9,11H2,1H3,(H,18,23)
InChIKeyKDDGTPZVWXQQTI-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.69
Rot. Bonds3

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

1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 128977516) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID128977516
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(c3nc4ccccc4s3)C2)n1
InChIInChI=1S/C17H19N5OS/c1-18-16(23)14-8-10-22(20-14)12-5-4-9-21(11-12)17-19-13-6-2-3-7-15(13)24-17/h2-3,6-8,10,12H,4-5,9,11H2,1H3,(H,18,23)
InChIKeyKDDGTPZVWXQQTI-UHFFFAOYSA-N
XLogP2.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 126810435
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836
N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129338809
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129473969
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45168499
1-(1,3-benzothiazol-2-yl)piperidine-3-carbaldehyde
CID 62664339
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 128977516) is 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(c3nc4ccccc4s3)C2)n1.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is KDDGTPZVWXQQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-18-16(23)14-8-10-22(20-14)12-5-4-9-21(11-12)17-19-13-6-2-3-7-15(13)24-17/h2-3,6-8,10,12H,4-5,9,11H2,1H3,(H,18,23).
What are the key properties of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 128977516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).