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

C25H18FN3O2S — CID 16958341

IUPAC[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(F)cc4)cs3)c3ccccn23)cc1
InChIInChI=1S/C25H18FN3O2S/c1-31-18-11-7-16(8-12-18)24(30)23-22(27)21(20-4-2-3-13-29(20)23)25-28-19(14-32-25)15-5-9-17(26)10-6-15/h2-14H,27H2,1H3
InChIKeyGPVFGBVRXJYEOJ-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]-(4-methoxyphenyl)methanone

[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 16958341) 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]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID16958341
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]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(F)cc4)cs3)c3ccccn23)cc1
InChIInChI=1S/C25H18FN3O2S/c1-31-18-11-7-16(8-12-18)24(30)23-22(27)21(20-4-2-3-13-29(20)23)25-28-19(14-32-25)15-5-9-17(26)10-6-15/h2-14H,27H2,1H3
InChIKeyGPVFGBVRXJYEOJ-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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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone (CID 16958341) is [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(F)cc4)cs3)c3ccccn23)cc1.
What is the InChIKey of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GPVFGBVRXJYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2S/c1-31-18-11-7-16(8-12-18)24(30)23-22(27)21(20-4-2-3-13-29(20)23)25-28-19(14-32-25)15-5-9-17(26)10-6-15/h2-14H,27H2,1H3.
What are the key properties of [2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-methoxyphenyl)methanone?
[2-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-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]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 16958341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).