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

C16H23N5OS — CID 139500276

IUPACN-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C)cn3)C2)s1
InChIInChI=1S/C16H23N5OS/c1-12-6-18-21(8-12)10-14-4-3-5-20(9-14)11-15-7-17-16(23-15)19-13(2)22/h6-8,14H,3-5,9-11H2,1-2H3,(H,17,19,22)
InChIKeyYGTUNDGGAUTSAO-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.52
Rot. Bonds5

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

N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500276) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139500276
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C)cn3)C2)s1
InChIInChI=1S/C16H23N5OS/c1-12-6-18-21(8-12)10-14-4-3-5-20(9-14)11-15-7-17-16(23-15)19-13(2)22/h6-8,14H,3-5,9-11H2,1-2H3,(H,17,19,22)
InChIKeyYGTUNDGGAUTSAO-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-[(4-methylpyrazol-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
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 56780497
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 72043973
N-[5-[[4-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377640
3-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47298958
(1-Propan-2-ylpyrazol-4-yl)-[4-(1,3-thiazol-2-ylamino)piperidin-1-yl]methanone
CID 121533677
N-[5-[[(3S)-3-[2-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491330
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-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500287
N-[5-[[(3S,4S)-3-[(5-fluoropyrimidin-2-yl)methyl]-4-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500784

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500276) is N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cn3cc(C)cn3)C2)s1.
What is the InChIKey of N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YGTUNDGGAUTSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12-6-18-21(8-12)10-14-4-3-5-20(9-14)11-15-7-17-16(23-15)19-13(2)22/h6-8,14H,3-5,9-11H2,1-2H3,(H,17,19,22).
What are the key properties of N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).