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

C22H27N3O3S — CID 134340844

IUPACpropan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C22H27N3O3S/c1-14(2)28-22(26)19-12-18-11-17(21-23-5-10-29-21)13-25(18)20(15(19)3)16(4)24-6-8-27-9-7-24/h5,10-14,16H,6-9H2,1-4H3
InChIKeyKMNUJCVZNBKXSB-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.33
Rot. Bonds5

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

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate (PubChem CID 134340844) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate
PubChem CID134340844
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C22H27N3O3S/c1-14(2)28-22(26)19-12-18-11-17(21-23-5-10-29-21)13-25(18)20(15(19)3)16(4)24-6-8-27-9-7-24/h5,10-14,16H,6-9H2,1-4H3
InChIKeyKMNUJCVZNBKXSB-UHFFFAOYSA-N
XLogP4.33
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.33
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-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate (CID 134340844) is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate is Cc1c(C(=O)OC(C)C)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate?
The InChIKey is KMNUJCVZNBKXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-14(2)28-22(26)19-12-18-11-17(21-23-5-10-29-21)13-25(18)20(15(19)3)16(4)24-6-8-27-9-7-24/h5,10-14,16H,6-9H2,1-4H3.
What are the key properties of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate?
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate has a molecular weight of 413.54 g/mol, XLogP of 4.33, 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-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylate is sourced from PubChem (CID 134340844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).