7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O2S2 — CID 126469273

IUPAC7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1c(SCC)nc2sccn2c1=O
InChIInChI=1S/C13H17N3O2S2/c1-4-6-15(3)11(17)9-10(19-5-2)14-13-16(12(9)18)7-8-20-13/h7-8H,4-6H2,1-3H3
InChIKeyXHAUCFNFNCXQAM-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.35
Rot. Bonds5

About 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469273) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469273
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1c(SCC)nc2sccn2c1=O
InChIInChI=1S/C13H17N3O2S2/c1-4-6-15(3)11(17)9-10(19-5-2)14-13-16(12(9)18)7-8-20-13/h7-8H,4-6H2,1-3H3
InChIKeyXHAUCFNFNCXQAM-UHFFFAOYSA-N
XLogP2.35
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469273) is 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(C)C(=O)c1c(SCC)nc2sccn2c1=O.
What is the InChIKey of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XHAUCFNFNCXQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-4-6-15(3)11(17)9-10(19-5-2)14-13-16(12(9)18)7-8-20-13/h7-8H,4-6H2,1-3H3.
What are the key properties of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).