(2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide

C13H17N5O2S — CID 97084488

IUPAC(2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn(-c2nccs2)c1)N1CCCC[C@@H]1CO
InChIInChI=1S/C13H17N5O2S/c19-9-11-3-1-2-5-17(11)12(20)16-10-7-15-18(8-10)13-14-4-6-21-13/h4,6-8,11,19H,1-3,5,9H2,(H,16,20)/t11-/m1/s1
InChIKeyGHKXGHODJNISJL-LLVKDONJSA-N
MW307.38 g/mol
LogP1.71
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 97084488) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID97084488
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name(2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn(-c2nccs2)c1)N1CCCC[C@@H]1CO
InChIInChI=1S/C13H17N5O2S/c19-9-11-3-1-2-5-17(11)12(20)16-10-7-15-18(8-10)13-14-4-6-21-13/h4,6-8,11,19H,1-3,5,9H2,(H,16,20)/t11-/m1/s1
InChIKeyGHKXGHODJNISJL-LLVKDONJSA-N
XLogP1.71
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 71845869
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
CID 125168729
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 86778865
(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 154735256
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide (CID 97084488) is (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide is O=C(Nc1cnn(-c2nccs2)c1)N1CCCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is GHKXGHODJNISJL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-9-11-3-1-2-5-17(11)12(20)16-10-7-15-18(8-10)13-14-4-6-21-13/h4,6-8,11,19H,1-3,5,9H2,(H,16,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97084488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).