N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H25N5OS — CID 139500169

IUPACN-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnn(CC2CCCN(Cc3cnc(NC(C)=O)s3)C2)c1
InChIInChI=1S/C17H25N5OS/c1-3-14-7-19-22(10-14)11-15-5-4-6-21(9-15)12-16-8-18-17(24-16)20-13(2)23/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,18,20,23)
InChIKeyLYCPHYZTQZNLGD-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.77
Rot. Bonds6

About N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500169) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139500169
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnn(CC2CCCN(Cc3cnc(NC(C)=O)s3)C2)c1
InChIInChI=1S/C17H25N5OS/c1-3-14-7-19-22(10-14)11-15-5-4-6-21(9-15)12-16-8-18-17(24-16)20-13(2)23/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,18,20,23)
InChIKeyLYCPHYZTQZNLGD-UHFFFAOYSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

US10913733, Example 8
CID 129251536
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47061468
3-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47298958
1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 84596472
2,2,2-trifluoro-N-[[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methyl]acetamide
CID 135323372
N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500168
N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500170
N-[5-[[3-[(4-fluoropyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500267
N-[5-[[(3S)-3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 169715132
5-[[3-[(4-fluoropyrazol-1-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 169893657
1-methyl-N-[[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 133523096
3-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}-N-1,3-thiazol-2-ylpropanamide
CID 50956699

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500169) is N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCc1cnn(CC2CCCN(Cc3cnc(NC(C)=O)s3)C2)c1.
What is the InChIKey of N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LYCPHYZTQZNLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-14-7-19-22(10-14)11-15-5-4-6-21(9-15)12-16-8-18-17(24-16)20-13(2)23/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,18,20,23).
What are the key properties of N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 347.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).