methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate

C17H15N3O3S — CID 31911755

IUPACmethyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2ccc(-n3cccc3)cc2)s1
InChIInChI=1S/C17H15N3O3S/c1-23-16(22)14-11-18-17(24-14)19-15(21)10-12-4-6-13(7-5-12)20-8-2-3-9-20/h2-9,11H,10H2,1H3,(H,18,19,21)
InChIKeyIWBMSEFWJPRFJX-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.90
Rot. Bonds5

About methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 31911755) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID31911755
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Namemethyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2ccc(-n3cccc3)cc2)s1
InChIInChI=1S/C17H15N3O3S/c1-23-16(22)14-11-18-17(24-14)19-15(21)10-12-4-6-13(7-5-12)20-8-2-3-9-20/h2-9,11H,10H2,1H3,(H,18,19,21)
InChIKeyIWBMSEFWJPRFJX-UHFFFAOYSA-N
XLogP2.90
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-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

methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 18121924
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103683
N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43064333
methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 87562643
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18121923
N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47172440
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55764141
methyl 2-(3-methylbut-2-enoylamino)-1,3-thiazole-5-carboxylate
CID 30709011
methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 31911755) is methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)Cc2ccc(-n3cccc3)cc2)s1.
What is the InChIKey of methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is IWBMSEFWJPRFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-16(22)14-11-18-17(24-14)19-15(21)10-12-4-6-13(7-5-12)20-8-2-3-9-20/h2-9,11H,10H2,1H3,(H,18,19,21).
What are the key properties of methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 31911755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).