N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

C17H25N5OS — CID 97344338

IUPACN-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1
InChIInChI=1S/C17H25N5OS/c1-11(2)17-20-14(10-24-17)9-22-6-4-5-13(8-22)16-15(7-18-21-16)19-12(3)23/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,18,21)(H,19,23)/t13-/m1/s1
InChIKeyGYVBDBPWCATDDC-CYBMUJFWSA-N
MW347.49 g/mol
LogP3.33
Rot. Bonds5

About N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 97344338) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID97344338
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1
InChIInChI=1S/C17H25N5OS/c1-11(2)17-20-14(10-24-17)9-22-6-4-5-13(8-22)16-15(7-18-21-16)19-12(3)23/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,18,21)(H,19,23)/t13-/m1/s1
InChIKeyGYVBDBPWCATDDC-CYBMUJFWSA-N
XLogP3.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 97344399
N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344362
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343503
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 128976100
4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344525
2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95773430
N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95769661
(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 98768253

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 97344338) is N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1cn[nH]c1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1.
What is the InChIKey of N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is GYVBDBPWCATDDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11(2)17-20-14(10-24-17)9-22-6-4-5-13(8-22)16-15(7-18-21-16)19-12(3)23/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,18,21)(H,19,23)/t13-/m1/s1.
What are the key properties of N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 347.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 97344338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).