methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate

C20H23N3O2S — CID 4846044

IUPACmethyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(-c2nc(NCc3ccc(C)cc3)sc2C)c1C
InChIInChI=1S/C20H23N3O2S/c1-11-6-8-15(9-7-11)10-21-20-23-18(14(4)26-20)17-12(2)16(13(3)22-17)19(24)25-5/h6-9,22H,10H2,1-5H3,(H,21,23)
InChIKeyVGPTZYSGXUWFMT-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.77
Rot. Bonds5

About methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate (PubChem CID 4846044) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate
PubChem CID4846044
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Namemethyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(-c2nc(NCc3ccc(C)cc3)sc2C)c1C
InChIInChI=1S/C20H23N3O2S/c1-11-6-8-15(9-7-11)10-21-20-23-18(14(4)26-20)17-12(2)16(13(3)22-17)19(24)25-5/h6-9,22H,10H2,1-5H3,(H,21,23)
InChIKeyVGPTZYSGXUWFMT-UHFFFAOYSA-N
XLogP4.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2,4-dimethyl-5-[5-methyl-2-(3-methylbutylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate
CID 8891213
methyl 5-[2-(tert-butylamino)-5-methyl-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8963232
ethyl 2,4-dimethyl-5-[5-methyl-2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate
CID 8961760
methyl 2-[(4-fluorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306639
methyl 5-acetyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 106696849
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712
methyl 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8962447
4-O-methyl 2-O-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 40811746
methyl 5-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9232207
methyl 5-[2-[(6-methoxy-6-oxohexyl)amino]-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9422514
methyl 5-methyl-2-(thiophen-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424395

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate (CID 4846044) is methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(-c2nc(NCc3ccc(C)cc3)sc2C)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate?
The InChIKey is VGPTZYSGXUWFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-11-6-8-15(9-7-11)10-21-20-23-18(14(4)26-20)17-12(2)16(13(3)22-17)19(24)25-5/h6-9,22H,10H2,1-5H3,(H,21,23).
What are the key properties of methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[5-methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 4846044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).