4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 116664707

IUPAC4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCOCC(C)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-3-19-8-9(2)15-12(18)10-11(14)16-13(20-10)17-6-4-5-7-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyQKGWOASVMHSEOI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds6

About 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116664707) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116664707
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCOCC(C)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-3-19-8-9(2)15-12(18)10-11(14)16-13(20-10)17-6-4-5-7-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyQKGWOASVMHSEOI-UHFFFAOYSA-N
XLogP1.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 116664707) is 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CCOCC(C)NC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QKGWOASVMHSEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-19-8-9(2)15-12(18)10-11(14)16-13(20-10)17-6-4-5-7-17/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).