N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C17H19N5OS — CID 84597428

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C17H19N5OS/c23-17(18-11-16-21-13-5-1-2-7-15(13)24-16)22-8-4-3-6-14(22)12-9-19-20-10-12/h1-2,5,7,9-10,14H,3-4,6,8,11H2,(H,18,23)(H,19,20)
InChIKeyPBNDPIRZAJWOLM-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.46
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 84597428) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID84597428
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C17H19N5OS/c23-17(18-11-16-21-13-5-1-2-7-15(13)24-16)22-8-4-3-6-14(22)12-9-19-20-10-12/h1-2,5,7,9-10,14H,3-4,6,8,11H2,(H,18,23)(H,19,20)
InChIKeyPBNDPIRZAJWOLM-UHFFFAOYSA-N
XLogP3.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 127774583
2-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 87000038
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2S)-2-(1,3-benzothiazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-1-carboxamide
CID 97196866
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
2-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 53497837
tert-butyl (2S)-2-(1,3-benzothiazol-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 55942529
N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521633

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 84597428) is N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(NCc1nc2ccccc2s1)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is PBNDPIRZAJWOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-17(18-11-16-21-13-5-1-2-7-15(13)24-16)22-8-4-3-6-14(22)12-9-19-20-10-12/h1-2,5,7,9-10,14H,3-4,6,8,11H2,(H,18,23)(H,19,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 84597428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).