propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate

C22H25N3O3S — CID 134340498

IUPACpropan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cscn3)cn12)N1CCOCC1
InChIInChI=1S/C22H25N3O3S/c1-14(2)28-22(26)19-10-18-9-17(20-12-29-13-23-20)11-25(18)21(15(19)3)16(4)24-5-7-27-8-6-24/h9-14H,4-8H2,1-3H3
InChIKeyLDPJEBFHGGODPS-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.24
Rot. Bonds5

About propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate (PubChem CID 134340498) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate
PubChem CID134340498
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cscn3)cn12)N1CCOCC1
InChIInChI=1S/C22H25N3O3S/c1-14(2)28-22(26)19-10-18-9-17(20-12-29-13-23-20)11-25(18)21(15(19)3)16(4)24-5-7-27-8-6-24/h9-14H,4-8H2,1-3H3
InChIKeyLDPJEBFHGGODPS-UHFFFAOYSA-N
XLogP4.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate (CID 134340498) is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate is C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cscn3)cn12)N1CCOCC1.
What is the InChIKey of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate?
The InChIKey is LDPJEBFHGGODPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-14(2)28-22(26)19-10-18-9-17(20-12-29-13-23-20)11-25(18)21(15(19)3)16(4)24-5-7-27-8-6-24/h9-14H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate?
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate has a molecular weight of 411.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-(1,3-thiazol-4-yl)indolizine-7-carboxylate is sourced from PubChem (CID 134340498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).