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

C25H19N3O2S — CID 2348086

IUPAC[2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1
InChIInChI=1S/C25H19N3O2S/c1-30-18-12-10-16(11-13-18)19-15-31-25(27-19)21-20-9-5-6-14-28(20)23(22(21)26)24(29)17-7-3-2-4-8-17/h2-15H,26H2,1H3
InChIKeyDAMBPGKRCOYKNE-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.55
Rot. Bonds5

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

[2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone (PubChem CID 2348086) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is [2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
PubChem CID2348086
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name[2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1
InChIInChI=1S/C25H19N3O2S/c1-30-18-12-10-16(11-13-18)19-15-31-25(27-19)21-20-9-5-6-14-28(20)23(22(21)26)24(29)17-7-3-2-4-8-17/h2-15H,26H2,1H3
InChIKeyDAMBPGKRCOYKNE-UHFFFAOYSA-N
XLogP5.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.55
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-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
The IUPAC name of [2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone (CID 2348086) is [2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone is COc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1.
What is the InChIKey of [2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
The InChIKey is DAMBPGKRCOYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-30-18-12-10-16(11-13-18)19-15-31-25(27-19)21-20-9-5-6-14-28(20)23(22(21)26)24(29)17-7-3-2-4-8-17/h2-15H,26H2,1H3.
What are the key properties of [2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone?
[2-amino-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone has a molecular weight of 425.51 g/mol, XLogP of 5.55, 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-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-phenylmethanone is sourced from PubChem (CID 2348086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).