1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone

C21H25N5OS — CID 165420264

IUPAC1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone
SMILESCNc1nc(C2(c3ccccc3)CCN(C(=O)Cc3nc[nH]c3C)CC2)cs1
InChIInChI=1S/C21H25N5OS/c1-15-17(24-14-23-15)12-19(27)26-10-8-21(9-11-26,16-6-4-3-5-7-16)18-13-28-20(22-2)25-18/h3-7,13-14H,8-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLQHFWCTWVGZAOX-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.37
Rot. Bonds5

About 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone

1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone (PubChem CID 165420264) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone
PubChem CID165420264
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone
SMILESCNc1nc(C2(c3ccccc3)CCN(C(=O)Cc3nc[nH]c3C)CC2)cs1
InChIInChI=1S/C21H25N5OS/c1-15-17(24-14-23-15)12-19(27)26-10-8-21(9-11-26,16-6-4-3-5-7-16)18-13-28-20(22-2)25-18/h3-7,13-14H,8-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLQHFWCTWVGZAOX-UHFFFAOYSA-N
XLogP3.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]ethanone;formic acid
CID 166599346
2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one
CID 165425929
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone
CID 165428508
(5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 165418289
1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165419363
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
CID 165420964
[4-[2-(butylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 165419116
1-(4-benzylpiperazin-1-yl)-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386215
[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 165419110
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone?
The IUPAC name of 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone (CID 165420264) is 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone?
The canonical SMILES for 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone is CNc1nc(C2(c3ccccc3)CCN(C(=O)Cc3nc[nH]c3C)CC2)cs1.
What is the InChIKey of 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone?
The InChIKey is LQHFWCTWVGZAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15-17(24-14-23-15)12-19(27)26-10-8-21(9-11-26,16-6-4-3-5-7-16)18-13-28-20(22-2)25-18/h3-7,13-14H,8-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone?
1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone has a molecular weight of 395.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone is sourced from PubChem (CID 165420264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).