methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

C19H20N4O4S — CID 71710125

IUPACmethyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)sc1C(C)C
InChIInChI=1S/C19H20N4O4S/c1-10(2)16-15(18(25)27-4)20-19(28-16)21-17(24)14-9-13(22-23-14)11-6-5-7-12(8-11)26-3/h5-10H,1-4H3,(H,22,23)(H,20,21,24)
InChIKeyHEFYLPLHDLJYFD-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.70
Rot. Bonds6

About methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 71710125) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID71710125
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Namemethyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)sc1C(C)C
InChIInChI=1S/C19H20N4O4S/c1-10(2)16-15(18(25)27-4)20-19(28-16)21-17(24)14-9-13(22-23-14)11-6-5-7-12(8-11)26-3/h5-10H,1-4H3,(H,22,23)(H,20,21,24)
InChIKeyHEFYLPLHDLJYFD-UHFFFAOYSA-N
XLogP3.70
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71828282
methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341664
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827806
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134548
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90530716
methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 155961942
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97154885
methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19508801
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 71710125) is methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)sc1C(C)C.
What is the InChIKey of methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is HEFYLPLHDLJYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-10(2)16-15(18(25)27-4)20-19(28-16)21-17(24)14-9-13(22-23-14)11-6-5-7-12(8-11)26-3/h5-10H,1-4H3,(H,22,23)(H,20,21,24).
What are the key properties of methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 400.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71710125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).