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

C27H29N3O4S — CID 55668667

IUPACethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc(NC(=O)C3CC3C)c2)sc1C
InChIInChI=1S/C27H29N3O4S/c1-4-34-26(33)23-18(3)35-27(29-23)30(14-13-19-9-6-5-7-10-19)25(32)20-11-8-12-21(16-20)28-24(31)22-15-17(22)2/h5-12,16-17,22H,4,13-15H2,1-3H3,(H,28,31)
InChIKeyNGVCDJWYGREZHE-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.11
Rot. Bonds9

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

ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 55668667) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID55668667
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Nameethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc(NC(=O)C3CC3C)c2)sc1C
InChIInChI=1S/C27H29N3O4S/c1-4-34-26(33)23-18(3)35-27(29-23)30(14-13-19-9-6-5-7-10-19)25(32)20-11-8-12-21(16-20)28-24(31)22-15-17(22)2/h5-12,16-17,22H,4,13-15H2,1-3H3,(H,28,31)
InChIKeyNGVCDJWYGREZHE-UHFFFAOYSA-N
XLogP5.11
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methyl-2-[(2-methylcyclopropanecarbonyl)-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 55369710
ethyl 2-[(3-methoxybenzoyl)-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55369688
ethyl 2-[(4-ethoxy-3-methoxybenzoyl)-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55369668
ethyl 2-[3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55369791
ethyl 2-[[4-(acetamidomethyl)benzoyl]-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55380885
ethyl 5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 55369577
ethyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55668642
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55369514
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
3-[ethyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 119190959
ethyl 5-methyl-2-[(5-methylsulfanyl-2-nitrobenzoyl)-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 55452894
ethyl 2-[3-(4-fluorophenyl)butanoyl-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55923712

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate (CID 55668667) is ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc(NC(=O)C3CC3C)c2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is NGVCDJWYGREZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-4-34-26(33)23-18(3)35-27(29-23)30(14-13-19-9-6-5-7-10-19)25(32)20-11-8-12-21(16-20)28-24(31)22-15-17(22)2/h5-12,16-17,22H,4,13-15H2,1-3H3,(H,28,31).
What are the key properties of ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 491.61 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55668667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).