4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide

C22H25N5O3S — CID 110092754

IUPAC4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C3CCCN(C(=O)Cc4csc(C)n4)C3)[nH]c2C(N)=O)cc1
InChIInChI=1S/C22H25N5O3S/c1-13-24-16(12-31-13)10-18(28)27-9-3-4-15(11-27)22-25-19(20(26-22)21(23)29)14-5-7-17(30-2)8-6-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,23,29)(H,25,26)
InChIKeyWHKYFCVKGCKBBW-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.90
Rot. Bonds6

About 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide

4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 110092754) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide
PubChem CID110092754
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C3CCCN(C(=O)Cc4csc(C)n4)C3)[nH]c2C(N)=O)cc1
InChIInChI=1S/C22H25N5O3S/c1-13-24-16(12-31-13)10-18(28)27-9-3-4-15(11-27)22-25-19(20(26-22)21(23)29)14-5-7-17(30-2)8-6-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,23,29)(H,25,26)
InChIKeyWHKYFCVKGCKBBW-UHFFFAOYSA-N
XLogP2.90
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092743
4-(4-methoxyphenyl)-2-[1-(2-phenoxyacetyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092729
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95810396
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795
1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70750807
2-(4-methoxyphenyl)-N-[[(3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 25280484
4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110259820
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110106854
2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620291
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 97138196
2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620322
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51564093

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide (CID 110092754) is 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide is COc1ccc(-c2nc(C3CCCN(C(=O)Cc4csc(C)n4)C3)[nH]c2C(N)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is WHKYFCVKGCKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-13-24-16(12-31-13)10-18(28)27-9-3-4-15(11-27)22-25-19(20(26-22)21(23)29)14-5-7-17(30-2)8-6-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,23,29)(H,25,26).
What are the key properties of 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide?
4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110092754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).