N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide

C12H19N3O2S — CID 54953477

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCc1nc(NC(=O)C2CC(OC)CN2)sc1C
InChIInChI=1S/C12H19N3O2S/c1-4-9-7(2)18-12(14-9)15-11(16)10-5-8(17-3)6-13-10/h8,10,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyIKCHDSPWMPKKNY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.33
Rot. Bonds4

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 54953477) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID54953477
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCc1nc(NC(=O)C2CC(OC)CN2)sc1C
InChIInChI=1S/C12H19N3O2S/c1-4-9-7(2)18-12(14-9)15-11(16)10-5-8(17-3)6-13-10/h8,10,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyIKCHDSPWMPKKNY-UHFFFAOYSA-N
XLogP1.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide (CID 54953477) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide is CCc1nc(NC(=O)C2CC(OC)CN2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is IKCHDSPWMPKKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-9-7(2)18-12(14-9)15-11(16)10-5-8(17-3)6-13-10/h8,10,13H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 54953477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).