[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone

C25H18FN3O2S — CID 23605004

IUPAC[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c(N)c(-c2nc(-c3ccc(F)cc3)cs2)c2ccccn12
InChIInChI=1S/C25H18FN3O2S/c1-31-20-8-3-2-6-17(20)24(30)23-22(27)21(19-7-4-5-13-29(19)23)25-28-18(14-32-25)15-9-11-16(26)12-10-15/h2-14H,27H2,1H3
InChIKeyPDEHPQVIXLXDMN-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.69
Rot. Bonds5

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

[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone (PubChem CID 23605004) has the molecular formula C25H18FN3O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone
PubChem CID23605004
Molecular FormulaC25H18FN3O2S
Molecular Weight443.50 g/mol
Exact Mass443.11
IUPAC Name[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c(N)c(-c2nc(-c3ccc(F)cc3)cs2)c2ccccn12
InChIInChI=1S/C25H18FN3O2S/c1-31-20-8-3-2-6-17(20)24(30)23-22(27)21(19-7-4-5-13-29(19)23)25-28-18(14-32-25)15-9-11-16(26)12-10-15/h2-14H,27H2,1H3
InChIKeyPDEHPQVIXLXDMN-UHFFFAOYSA-N
XLogP5.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone
CID 23605028
[2-amino-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
CID 16958334
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
methyl 5-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 94962515

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone (CID 23605004) is [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1c(N)c(-c2nc(-c3ccc(F)cc3)cs2)c2ccccn12.
What is the InChIKey of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PDEHPQVIXLXDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2S/c1-31-20-8-3-2-6-17(20)24(30)23-22(27)21(19-7-4-5-13-29(19)23)25-28-18(14-32-25)15-9-11-16(26)12-10-15/h2-14H,27H2,1H3.
What are the key properties of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone?
[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone has a molecular weight of 443.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 23605004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).