propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate

C22H21N3O5S — CID 84550488

IUPACpropan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3cccc(C(=O)OC(C)C)c3)cs2)cc1
InChIInChI=1S/C22H21N3O5S/c1-13(2)30-21(28)15-5-4-6-16(11-15)23-20(27)18-12-31-22(24-18)25-19(26)14-7-9-17(29-3)10-8-14/h4-13H,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyVPCMCKGLODVKNU-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.22
Rot. Bonds7

About propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate

propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate (PubChem CID 84550488) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
PubChem CID84550488
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Namepropan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3cccc(C(=O)OC(C)C)c3)cs2)cc1
InChIInChI=1S/C22H21N3O5S/c1-13(2)30-21(28)15-5-4-6-16(11-15)23-20(27)18-12-31-22(24-18)25-19(26)14-7-9-17(29-3)10-8-14/h4-13H,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyVPCMCKGLODVKNU-UHFFFAOYSA-N
XLogP4.22
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 84550439
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
methyl 3-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110694272
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84550584
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550351
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The IUPAC name of propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate (CID 84550488) is propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The canonical SMILES for propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate is COc1ccc(C(=O)Nc2nc(C(=O)Nc3cccc(C(=O)OC(C)C)c3)cs2)cc1.
What is the InChIKey of propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The InChIKey is VPCMCKGLODVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-13(2)30-21(28)15-5-4-6-16(11-15)23-20(27)18-12-31-22(24-18)25-19(26)14-7-9-17(29-3)10-8-14/h4-13H,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate has a molecular weight of 439.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 84550488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).