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

C21H23N5O2S — CID 97446967

IUPACN-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)c(C)n2)n2ccccc12
InChIInChI=1S/C21H23N5O2S/c1-14-23-18(12-25(14)11-16-13-29-15(2)24-16)20-10-17(21(27)22-7-9-28-3)19-6-4-5-8-26(19)20/h4-6,8,10,12-13H,7,9,11H2,1-3H3,(H,22,27)
InChIKeyPRVKKSAYELKRLW-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.30
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide (PubChem CID 97446967) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
PubChem CID97446967
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)c(C)n2)n2ccccc12
InChIInChI=1S/C21H23N5O2S/c1-14-23-18(12-25(14)11-16-13-29-15(2)24-16)20-10-17(21(27)22-7-9-28-3)19-6-4-5-8-26(19)20/h4-6,8,10,12-13H,7,9,11H2,1-3H3,(H,22,27)
InChIKeyPRVKKSAYELKRLW-UHFFFAOYSA-N
XLogP3.30
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.30
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

N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446923
3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446932
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
CID 97446816
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
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
1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4254737
3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide
CID 97446920
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-methoxyethyl)-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 97447180

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide (CID 97446967) is N-(2-methoxyethyl)-3-[2-methyl-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-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide is COCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)c(C)n2)n2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
The InChIKey is PRVKKSAYELKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-23-18(12-25(14)11-16-13-29-15(2)24-16)20-10-17(21(27)22-7-9-28-3)19-6-4-5-8-26(19)20/h4-6,8,10,12-13H,7,9,11H2,1-3H3,(H,22,27).
What are the key properties of N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide?
N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.30, 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-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide is sourced from PubChem (CID 97446967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).