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

C20H20N4O4S — CID 71828282

IUPACmethyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)sc1C(C)C
InChIInChI=1S/C20H20N4O4S/c1-10(2)17-16(19(26)27-3)21-20(29-17)22-18(25)14-9-13(23-24-14)11-4-5-15-12(8-11)6-7-28-15/h4-5,8-10H,6-7H2,1-3H3,(H,23,24)(H,21,22,25)
InChIKeySXBZSAMZFNXIPT-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.63
Rot. Bonds5

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

methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 71828282) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID71828282
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Namemethyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)sc1C(C)C
InChIInChI=1S/C20H20N4O4S/c1-10(2)17-16(19(26)27-3)21-20(29-17)22-18(25)14-9-13(23-24-14)11-4-5-15-12(8-11)6-7-28-15/h4-5,8-10H,6-7H2,1-3H3,(H,23,24)(H,21,22,25)
InChIKeySXBZSAMZFNXIPT-UHFFFAOYSA-N
XLogP3.63
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71710125
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71829439
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
methyl 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 121339129
methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 155961942
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 112808676
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 110205762
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827806
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)propanamide
CID 46680342
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of 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) is methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)sc1C(C)C.
What is the InChIKey of methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is SXBZSAMZFNXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-10(2)17-16(19(26)27-3)21-20(29-17)22-18(25)14-9-13(23-24-14)11-4-5-15-12(8-11)6-7-28-15/h4-5,8-10H,6-7H2,1-3H3,(H,23,24)(H,21,22,25).
What are the key properties of methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 412.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71828282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).