N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide

C23H22N4O4S — CID 25282145

IUPACN-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C23H22N4O4S/c1-14-11-21(25-22(28)15-5-8-17(29-2)9-6-15)27(26-14)23-24-18(13-32-23)16-7-10-19(30-3)20(12-16)31-4/h5-13H,1-4H3,(H,25,28)
InChIKeyVDDSVAWVSCIISF-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.58
Rot. Bonds7

About N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide

N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide (PubChem CID 25282145) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
PubChem CID25282145
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C23H22N4O4S/c1-14-11-21(25-22(28)15-5-8-17(29-2)9-6-15)27(26-14)23-24-18(13-32-23)16-7-10-19(30-3)20(12-16)31-4/h5-13H,1-4H3,(H,25,28)
InChIKeyVDDSVAWVSCIISF-UHFFFAOYSA-N
XLogP4.58
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 25282198
2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 25282155
(E)-3-(3,4-dimethoxyphenyl)-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]prop-2-enamide
CID 25281736
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
3-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
CID 25281712
2-chloro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
CID 25281972
N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25282015
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90571164
N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide
CID 25282236
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide (CID 25282145) is N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1.
What is the InChIKey of N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is VDDSVAWVSCIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-14-11-21(25-22(28)15-5-8-17(29-2)9-6-15)27(26-14)23-24-18(13-32-23)16-7-10-19(30-3)20(12-16)31-4/h5-13H,1-4H3,(H,25,28).
What are the key properties of N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 450.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 25282145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).