[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone

C28H25N3O4S — CID 23605028

IUPAC[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2c(N)c(-c3nc(-c4cc(OC)ccc4OC)cs3)c3ccccn23)cc1
InChIInChI=1S/C28H25N3O4S/c1-4-35-18-10-8-17(9-11-18)27(32)26-25(29)24(22-7-5-6-14-31(22)26)28-30-21(16-36-28)20-15-19(33-2)12-13-23(20)34-3/h5-16H,4,29H2,1-3H3
InChIKeyLHTFLUKGVUZLJU-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.96
Rot. Bonds8

About [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone

[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone (PubChem CID 23605028) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone
PubChem CID23605028
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC Name[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2c(N)c(-c3nc(-c4cc(OC)ccc4OC)cs3)c3ccccn23)cc1
InChIInChI=1S/C28H25N3O4S/c1-4-35-18-10-8-17(9-11-18)27(32)26-25(29)24(22-7-5-6-14-31(22)26)28-30-21(16-36-28)20-15-19(33-2)12-13-23(20)34-3/h5-16H,4,29H2,1-3H3
InChIKeyLHTFLUKGVUZLJU-UHFFFAOYSA-N
XLogP5.96
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(3-nitrophenyl)methanone
CID 46262324
[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
CID 16958334
[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone
CID 23605004
[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
CID 124938249
2-amino-3-(4-methoxybenzoyl)indolizine-1-carboxamide
CID 177255832
ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 101076102
2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
CID 18576512
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone (CID 23605028) is [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2c(N)c(-c3nc(-c4cc(OC)ccc4OC)cs3)c3ccccn23)cc1.
What is the InChIKey of [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is LHTFLUKGVUZLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-4-35-18-10-8-17(9-11-18)27(32)26-25(29)24(22-7-5-6-14-31(22)26)28-30-21(16-36-28)20-15-19(33-2)12-13-23(20)34-3/h5-16H,4,29H2,1-3H3.
What are the key properties of [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone?
[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 499.59 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 23605028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).