2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide

C13H17N5OS — CID 71810037

IUPAC2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESO=C(Cn1cccn1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C13H17N5OS/c19-12(10-18-6-1-4-15-18)16-11-2-7-17(8-3-11)13-14-5-9-20-13/h1,4-6,9,11H,2-3,7-8,10H2,(H,16,19)
InChIKeyVXAXSFIUYBFKQS-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.12
Rot. Bonds4

About 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide

2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide (PubChem CID 71810037) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
PubChem CID71810037
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESO=C(Cn1cccn1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C13H17N5OS/c19-12(10-18-6-1-4-15-18)16-11-2-7-17(8-3-11)13-14-5-9-20-13/h1,4-6,9,11H,2-3,7-8,10H2,(H,16,19)
InChIKeyVXAXSFIUYBFKQS-UHFFFAOYSA-N
XLogP1.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Pyrazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 45820427
N-(2-propan-2-ylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 48394445
N-methyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53557640
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53560782
N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
N-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607494
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 56780497
N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802309
N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802339
3-(4-Methylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56817549
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56817801

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide (CID 71810037) is 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide is O=C(Cn1cccn1)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The InChIKey is VXAXSFIUYBFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c19-12(10-18-6-1-4-15-18)16-11-2-7-17(8-3-11)13-14-5-9-20-13/h1,4-6,9,11H,2-3,7-8,10H2,(H,16,19).
What are the key properties of 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 71810037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).