methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate

C21H24N4O4S — CID 90489464

IUPACmethyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)sc1CC(C)C
InChIInChI=1S/C21H24N4O4S/c1-12(2)10-17-18(20(27)29-5)22-21(30-17)23-19(26)16-11-15(24-25(16)3)13-6-8-14(28-4)9-7-13/h6-9,11-12H,10H2,1-5H3,(H,22,23,26)
InChIKeyBZLLJKFVZHZDIX-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.79
Rot. Bonds7

About methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate

methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate (PubChem CID 90489464) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
PubChem CID90489464
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Namemethyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)sc1CC(C)C
InChIInChI=1S/C21H24N4O4S/c1-12(2)10-17-18(20(27)29-5)22-21(30-17)23-19(26)16-11-15(24-25(16)3)13-6-8-14(28-4)9-7-13/h6-9,11-12H,10H2,1-5H3,(H,22,23,26)
InChIKeyBZLLJKFVZHZDIX-UHFFFAOYSA-N
XLogP3.79
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
methyl 2-[[3-(2-chlorophenyl)-1-methylpyrazole-5-carbonyl]amino]-5-ethyl-1,3-thiazole-4-carboxylate
CID 90489452
methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 71706844
methyl 2-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 71708825
methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 71705789
methyl 5-(2-methylpropyl)-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71709990
methyl 5-(2-methylpropyl)-2-[[2-[2-(1,2,4-triazol-4-yl)phenoxy]acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71703925
1-methyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
CID 71703539
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 17403542
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089476

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate (CID 90489464) is methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)sc1CC(C)C.
What is the InChIKey of methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BZLLJKFVZHZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-12(2)10-17-18(20(27)29-5)22-21(30-17)23-19(26)16-11-15(24-25(16)3)13-6-8-14(28-4)9-7-13/h6-9,11-12H,10H2,1-5H3,(H,22,23,26).
What are the key properties of methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 428.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 90489464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).