ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate

C14H18N4O4S — CID 8799707

IUPACethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)Cc1cc(=O)n2ccsc2n1
InChIInChI=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)
InChIKeyTYTDCHQVYGDARX-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.85
Rot. Bonds6

About ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate

ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate (PubChem CID 8799707) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate
PubChem CID8799707
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Nameethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)Cc1cc(=O)n2ccsc2n1
InChIInChI=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)
InChIKeyTYTDCHQVYGDARX-UHFFFAOYSA-N
XLogP0.85
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate (CID 8799707) is ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate?
The InChIKey is TYTDCHQVYGDARX-UHFFFAOYSA-N. 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).
What are the key properties of ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate?
ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate has a molecular weight of 338.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate is sourced from PubChem (CID 8799707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).