4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

C17H21N5O5S — CID 3783425

IUPAC4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1
InChIInChI=1S/C17H21N5O5S/c1-26-8-7-20-12(23)9-22(10-3-5-11(27-2)6-4-10)17(25)15-13(18)14(16(19)24)21-28-15/h3-6H,7-9,18H2,1-2H3,(H2,19,24)(H,20,23)
InChIKeyUJYSNNXGBHOMBV-UHFFFAOYSA-N
MW407.45 g/mol
LogP0.24
Rot. Bonds9

About 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3783425) has the molecular formula C17H21N5O5S and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID3783425
Molecular FormulaC17H21N5O5S
Molecular Weight407.45 g/mol
Exact Mass407.13
IUPAC Name4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1
InChIInChI=1S/C17H21N5O5S/c1-26-8-7-20-12(23)9-22(10-3-5-11(27-2)6-4-10)17(25)15-13(18)14(16(19)24)21-28-15/h3-6H,7-9,18H2,1-2H3,(H2,19,24)(H,20,23)
InChIKeyUJYSNNXGBHOMBV-UHFFFAOYSA-N
XLogP0.24
TPSA149.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3172438
ethyl 2-[[2-(N-(4-amino-3-carbamoyl-1,2-thiazole-5-carbonyl)-4-ethoxyanilino)acetyl]amino]acetate
CID 3173461
4-amino-5-N-[(1R)-2-(2-methoxyethylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40593031
4-amino-5-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3173490
4-amino-5-N-[2-(benzylamino)-2-oxoethyl]-5-N-(3-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3752101
4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[2-(2-methoxyethylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3188946
4-amino-5-N-(4-fluorophenyl)-5-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3188747
4-amino-5-N-[2-(benzylamino)-2-oxoethyl]-5-N-(3-chloro-4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3177295
4-amino-5-N-(3,4-dimethylphenyl)-5-N-[2-(2-methoxyethylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 646822
4-amino-5-N-[1-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3188810
4-amino-5-N-[(1R)-1-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40598890
4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3179503

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 3783425) is 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1.
What is the InChIKey of 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is UJYSNNXGBHOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5S/c1-26-8-7-20-12(23)9-22(10-3-5-11(27-2)6-4-10)17(25)15-13(18)14(16(19)24)21-28-15/h3-6H,7-9,18H2,1-2H3,(H2,19,24)(H,20,23).
What are the key properties of 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 407.45 g/mol, XLogP of 0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3783425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).