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

C21H25N5OS — CID 90494462

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1csc(NC(=O)CN2CCC(Cn3ccnc3-c3ccccc3)CC2)n1
InChIInChI=1S/C21H25N5OS/c1-16-15-28-21(23-16)24-19(27)14-25-10-7-17(8-11-25)13-26-12-9-22-20(26)18-5-3-2-4-6-18/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3,(H,23,24,27)
InChIKeyGKFDCQIGBXWXNH-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.67
Rot. Bonds6

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 90494462) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID90494462
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1csc(NC(=O)CN2CCC(Cn3ccnc3-c3ccccc3)CC2)n1
InChIInChI=1S/C21H25N5OS/c1-16-15-28-21(23-16)24-19(27)14-25-10-7-17(8-11-25)13-26-12-9-22-20(26)18-5-3-2-4-6-18/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3,(H,23,24,27)
InChIKeyGKFDCQIGBXWXNH-UHFFFAOYSA-N
XLogP3.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494424
N-(3-fluorophenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494417
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34200972
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63904542
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 46958754

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 90494462) is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1csc(NC(=O)CN2CCC(Cn3ccnc3-c3ccccc3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is GKFDCQIGBXWXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-16-15-28-21(23-16)24-19(27)14-25-10-7-17(8-11-25)13-26-12-9-22-20(26)18-5-3-2-4-6-18/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3,(H,23,24,27).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90494462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).