[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C23H28N4O2S — CID 46263582

IUPAC[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)N4CCCCC4)s3)c2C)cc1
InChIInChI=1S/C23H28N4O2S/c1-15-20(14-18-8-10-19(29-4)11-9-18)17(3)27(25-15)23-24-16(2)21(30-23)22(28)26-12-6-5-7-13-26/h8-11H,5-7,12-14H2,1-4H3
InChIKeyNIPJDPZRDCLCKO-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.48
Rot. Bonds5

About [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 46263582) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID46263582
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)N4CCCCC4)s3)c2C)cc1
InChIInChI=1S/C23H28N4O2S/c1-15-20(14-18-8-10-19(29-4)11-9-18)17(3)27(25-15)23-24-16(2)21(30-23)22(28)26-12-6-5-7-13-26/h8-11H,5-7,12-14H2,1-4H3
InChIKeyNIPJDPZRDCLCKO-UHFFFAOYSA-N
XLogP4.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23611650
methyl 2-[[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetate
CID 23611683
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110676615
N-(2-methoxyphenyl)-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265469
N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46263568
[2-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338584
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114725
(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 177382285
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918432
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46263558

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 46263582) is [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)N4CCCCC4)s3)c2C)cc1.
What is the InChIKey of [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is NIPJDPZRDCLCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-15-20(14-18-8-10-19(29-4)11-9-18)17(3)27(25-15)23-24-16(2)21(30-23)22(28)26-12-6-5-7-13-26/h8-11H,5-7,12-14H2,1-4H3.
What are the key properties of [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 424.57 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46263582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).