N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide

C20H21N5O2S — CID 97446923

IUPACN-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)cn2)n2ccccc12
InChIInChI=1S/C20H21N5O2S/c1-14-23-15(12-28-14)10-24-11-17(22-13-24)19-9-16(20(26)21-6-8-27-2)18-5-3-4-7-25(18)19/h3-5,7,9,11-13H,6,8,10H2,1-2H3,(H,21,26)
InChIKeyPKMJBRATIXVZFU-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.99
Rot. Bonds7

About N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide

N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide (PubChem CID 97446923) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
PubChem CID97446923
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)cn2)n2ccccc12
InChIInChI=1S/C20H21N5O2S/c1-14-23-15(12-28-14)10-24-11-17(22-13-24)19-9-16(20(26)21-6-8-27-2)18-5-3-4-7-25(18)19/h3-5,7,9,11-13H,6,8,10H2,1-2H3,(H,21,26)
InChIKeyPKMJBRATIXVZFU-UHFFFAOYSA-N
XLogP2.99
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446932
N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446967
N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97361988
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide
CID 97446925
3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
CID 97446816
3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide
CID 97446919
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97361970
1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4254737
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675
N-(2-methoxyethyl)-1-(3-methoxypropyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3476879

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide (CID 97446923) is N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide is COCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)cn2)n2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
The InChIKey is PKMJBRATIXVZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-23-15(12-28-14)10-24-11-17(22-13-24)19-9-16(20(26)21-6-8-27-2)18-5-3-4-7-25(18)19/h3-5,7,9,11-13H,6,8,10H2,1-2H3,(H,21,26).
What are the key properties of N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide is sourced from PubChem (CID 97446923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).