[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone

C27H22N2O2S — CID 124938249

IUPAC[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(-c3nc(-c4cc(C)ccc4C)cs3)c3ccccn23)cc1
InChIInChI=1S/C27H22N2O2S/c1-17-7-8-18(2)21(14-17)23-16-32-27(28-23)22-15-25(29-13-5-4-6-24(22)29)26(30)19-9-11-20(31-3)12-10-19/h4-16H,1-3H3
InChIKeyHOUYAWZMHAJNPU-UHFFFAOYSA-N
MW438.55 g/mol
LogP6.59
Rot. Bonds5

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

[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 124938249) has the molecular formula C27H22N2O2S and a molecular weight of 438.55 g/mol. Its IUPAC name is [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID124938249
Molecular FormulaC27H22N2O2S
Molecular Weight438.55 g/mol
Exact Mass438.14
IUPAC Name[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(-c3nc(-c4cc(C)ccc4C)cs3)c3ccccn23)cc1
InChIInChI=1S/C27H22N2O2S/c1-17-7-8-18(2)21(14-17)23-16-32-27(28-23)22-15-25(29-13-5-4-6-24(22)29)26(30)19-9-11-20(31-3)12-10-19/h4-16H,1-3H3
InChIKeyHOUYAWZMHAJNPU-UHFFFAOYSA-N
XLogP6.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
CID 16958334
[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone
CID 23605028
[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524212
(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
CID 170222374
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethoxybenzamide
CID 8838918
[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl] acetate
CID 174677755
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
3-(4-methoxyphenyl)-4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 139050491
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone (CID 124938249) is [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(-c3nc(-c4cc(C)ccc4C)cs3)c3ccccn23)cc1.
What is the InChIKey of [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HOUYAWZMHAJNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2S/c1-17-7-8-18(2)21(14-17)23-16-32-27(28-23)22-15-25(29-13-5-4-6-24(22)29)26(30)19-9-11-20(31-3)12-10-19/h4-16H,1-3H3.
What are the key properties of [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
[1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 438.55 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 124938249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).