propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate

C25H34N4O2S — CID 138733629

IUPACpropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(-c3cncs3)cn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C25H34N4O2S/c1-16(2)31-25(30)22-12-21-11-19(23-13-26-15-32-23)14-29(21)24(17(22)3)18(4)28-9-7-20(8-10-28)27(5)6/h11-16,18,20H,7-10H2,1-6H3
InChIKeyYPJWLBZQHFNDSU-UHFFFAOYSA-N
MW454.64 g/mol
LogP5.02
Rot. Bonds6

About propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate

propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate (PubChem CID 138733629) has the molecular formula C25H34N4O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate
PubChem CID138733629
Molecular FormulaC25H34N4O2S
Molecular Weight454.64 g/mol
Exact Mass454.24
IUPAC Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(-c3cncs3)cn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C25H34N4O2S/c1-16(2)31-25(30)22-12-21-11-19(23-13-26-15-32-23)14-29(21)24(17(22)3)18(4)28-9-7-20(8-10-28)27(5)6/h11-16,18,20H,7-10H2,1-6H3
InChIKeyYPJWLBZQHFNDSU-UHFFFAOYSA-N
XLogP5.02
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate (CID 138733629) is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate is Cc1c(C(=O)OC(C)C)cc2cc(-c3cncs3)cn2c1C(C)N1CCC(N(C)C)CC1.
What is the InChIKey of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate?
The InChIKey is YPJWLBZQHFNDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2S/c1-16(2)31-25(30)22-12-21-11-19(23-13-26-15-32-23)14-29(21)24(17(22)3)18(4)28-9-7-20(8-10-28)27(5)6/h11-16,18,20H,7-10H2,1-6H3.
What are the key properties of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate?
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate has a molecular weight of 454.64 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate is sourced from PubChem (CID 138733629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).