7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H15N3O3S2 — CID 126470788

IUPAC7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NCCOC
InChIInChI=1S/C12H15N3O3S2/c1-3-19-10-8(9(16)13-4-6-18-2)11(17)15-5-7-20-12(15)14-10/h5,7H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyXXAJGHLKRZABOV-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.24
Rot. Bonds6

About 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470788) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470788
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NCCOC
InChIInChI=1S/C12H15N3O3S2/c1-3-19-10-8(9(16)13-4-6-18-2)11(17)15-5-7-20-12(15)14-10/h5,7H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyXXAJGHLKRZABOV-UHFFFAOYSA-N
XLogP1.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4583472
7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469468
N-(2-methoxyethyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248323
7-hydroxy-N-isobutyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853289
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
N-butyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853287
5-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 133817260
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
N-(tert-butyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4389947
N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4429834
n-Allyl-5-oxo-5h-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598741
5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5020022

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470788) is 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCSc1nc2sccn2c(=O)c1C(=O)NCCOC.
What is the InChIKey of 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XXAJGHLKRZABOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-3-19-10-8(9(16)13-4-6-18-2)11(17)15-5-7-20-12(15)14-10/h5,7H,3-4,6H2,1-2H3,(H,13,16).
What are the key properties of 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).