[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone

C26H21N3OS — CID 16958334

IUPAC[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
SMILESCc1ccc(C)c(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)c1
InChIInChI=1S/C26H21N3OS/c1-16-11-12-17(2)19(14-16)20-15-31-26(28-20)22-21-10-6-7-13-29(21)24(23(22)27)25(30)18-8-4-3-5-9-18/h3-15H,27H2,1-2H3
InChIKeyLIOAVAFEVOJQNM-UHFFFAOYSA-N
MW423.54 g/mol
LogP6.16
Rot. Bonds4

About [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone

[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone (PubChem CID 16958334) has the molecular formula C26H21N3OS and a molecular weight of 423.54 g/mol. Its IUPAC name is [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
PubChem CID16958334
Molecular FormulaC26H21N3OS
Molecular Weight423.54 g/mol
Exact Mass423.14
IUPAC Name[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
SMILESCc1ccc(C)c(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)c1
InChIInChI=1S/C26H21N3OS/c1-16-11-12-17(2)19(14-16)20-15-31-26(28-20)22-21-10-6-7-13-29(21)24(23(22)27)25(30)18-8-4-3-5-9-18/h3-15H,27H2,1-2H3
InChIKeyLIOAVAFEVOJQNM-UHFFFAOYSA-N
XLogP6.16
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
CID 124938249
[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone
CID 23605028
[2-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(3-nitrophenyl)methanone
CID 46262324
[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524212
[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone
CID 23605004
[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone
CID 39071198
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 95772810
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 25335438

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
The IUPAC name of [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone (CID 16958334) is [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone is Cc1ccc(C)c(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)c1.
What is the InChIKey of [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
The InChIKey is LIOAVAFEVOJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3OS/c1-16-11-12-17(2)19(14-16)20-15-31-26(28-20)22-21-10-6-7-13-29(21)24(23(22)27)25(30)18-8-4-3-5-9-18/h3-15H,27H2,1-2H3.
What are the key properties of [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone has a molecular weight of 423.54 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone is sourced from PubChem (CID 16958334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).