7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H20N4O3S2 — CID 126469353

IUPAC7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O3S2/c1-2-23-13-11(14(21)19-7-10-24-15(19)17-13)12(20)16-3-4-18-5-8-22-9-6-18/h7,10H,2-6,8-9H2,1H3,(H,16,20)
InChIKeyFARXKNGCXQMQFA-UHFFFAOYSA-N
MW368.48 g/mol
LogP0.93
Rot. Bonds6

About 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469353) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469353
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O3S2/c1-2-23-13-11(14(21)19-7-10-24-15(19)17-13)12(20)16-3-4-18-5-8-22-9-6-18/h7,10H,2-6,8-9H2,1H3,(H,16,20)
InChIKeyFARXKNGCXQMQFA-UHFFFAOYSA-N
XLogP0.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469353) is 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCSc1nc2sccn2c(=O)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FARXKNGCXQMQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-2-23-13-11(14(21)19-7-10-24-15(19)17-13)12(20)16-3-4-18-5-8-22-9-6-18/h7,10H,2-6,8-9H2,1H3,(H,16,20).
What are the key properties of 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).