methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate

C17H20N2O4S — CID 23763670

IUPACmethyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(OCC(C)C)cc2)nc1C
InChIInChI=1S/C17H20N2O4S/c1-10(2)9-23-13-7-5-12(6-8-13)15(20)19-17-18-11(3)14(24-17)16(21)22-4/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyOOQXAAONDNYEHH-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.53
Rot. Bonds6

About methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 23763670) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID23763670
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Namemethyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(OCC(C)C)cc2)nc1C
InChIInChI=1S/C17H20N2O4S/c1-10(2)9-23-13-7-5-12(6-8-13)15(20)19-17-18-11(3)14(24-17)16(21)22-4/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyOOQXAAONDNYEHH-UHFFFAOYSA-N
XLogP3.53
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110444825
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 4-methyl-2-(1H-pyrazole-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110466732
methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 44922187
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440
propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
methyl 4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 44922171
methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 844700
methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108802948

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 23763670) is methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2ccc(OCC(C)C)cc2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is OOQXAAONDNYEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-10(2)9-23-13-7-5-12(6-8-13)15(20)19-17-18-11(3)14(24-17)16(21)22-4/h5-8,10H,9H2,1-4H3,(H,18,19,20).
What are the key properties of methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 23763670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).