[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

C14H19N4O4S+ — CID 8799706

About [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 8799706) has the molecular formula C14H19N4O4S+ and a molecular weight of 339.40 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

• Compound Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
• PubChem CID: 8799706
• Molecular Formula: C14H19N4O4S+
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.11
• IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
• SMILES: CCOC(=O)NC(=O)C[NH+](CC)Cc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C14H18N4O4S/c1-3-17(9-11(19)16-14(21)22-4-2)8-10-7-12(20)18-5-6-23-13(18)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,16,19,21)/p+1
• InChIKey: TYTDCHQVYGDARX-UHFFFAOYSA-O
• XLogP: -0.57
• TPSA: 94.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 8799706) is [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is CCOC(=O)NC(=O)C[NH+](CC)Cc1cc(=O)n2ccsc2n1.

What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

The InChIKey is TYTDCHQVYGDARX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N4O4S/c1-3-17(9-11(19)16-14(21)22-4-2)8-10-7-12(20)18-5-6-23-13(18)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,16,19,21)/p+1.

What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 339.40 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 8799706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).