methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C20H18N4O3S — CID 34464714

IUPACmethyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1C
InChIInChI=1S/C20H18N4O3S/c1-11-16(19(26)27-3)12(2)21-17(11)18(25)22-14-6-4-13(5-7-14)15-10-24-8-9-28-20(24)23-15/h4-10,21H,1-3H3,(H,22,25)
InChIKeyNGVOXSYLUVWITR-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.05
Rot. Bonds4

About methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 34464714) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID34464714
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Namemethyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1C
InChIInChI=1S/C20H18N4O3S/c1-11-16(19(26)27-3)12(2)21-17(11)18(25)22-14-6-4-13(5-7-14)15-10-24-8-9-28-20(24)23-15/h4-10,21H,1-3H3,(H,22,25)
InChIKeyNGVOXSYLUVWITR-UHFFFAOYSA-N
XLogP4.05
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 34552152
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
methyl 5-[(4-acetylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8934063
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
methyl 2,4-dimethyl-5-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 36545122
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 34464714) is methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1C.
What is the InChIKey of methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is NGVOXSYLUVWITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-11-16(19(26)27-3)12(2)21-17(11)18(25)22-14-6-4-13(5-7-14)15-10-24-8-9-28-20(24)23-15/h4-10,21H,1-3H3,(H,22,25).
What are the key properties of methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 394.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 34464714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).