N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide

C18H21N3O2S — CID 71987204

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2cc3ccccn3c2)cs1
InChIInChI=1S/C18H21N3O2S/c1-4-23-13(2)17-19-15(12-24-17)11-20(3)18(22)14-9-16-7-5-6-8-21(16)10-14/h5-10,12-13H,4,11H2,1-3H3
InChIKeyKDPKSCIZFMBAHX-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.77
Rot. Bonds6

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide (PubChem CID 71987204) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide
PubChem CID71987204
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2cc3ccccn3c2)cs1
InChIInChI=1S/C18H21N3O2S/c1-4-23-13(2)17-19-15(12-24-17)11-20(3)18(22)14-9-16-7-5-6-8-21(16)10-14/h5-10,12-13H,4,11H2,1-3H3
InChIKeyKDPKSCIZFMBAHX-UHFFFAOYSA-N
XLogP3.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide (CID 71987204) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide is CCOC(C)c1nc(CN(C)C(=O)c2cc3ccccn3c2)cs1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide?
The InChIKey is KDPKSCIZFMBAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-23-13(2)17-19-15(12-24-17)11-20(3)18(22)14-9-16-7-5-6-8-21(16)10-14/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide is sourced from PubChem (CID 71987204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).