6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

C12H14N4O3S2 — CID 53167648

IUPAC6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)[nH]c2c(C(=O)N3CCSCC3)snc2c1=O
InChIInChI=1S/C12H14N4O3S2/c1-2-16-10(17)8-7(13-12(16)19)9(21-14-8)11(18)15-3-5-20-6-4-15/h2-6H2,1H3,(H,13,19)
InChIKeyFMGAPZAZFDHQJT-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.36
Rot. Bonds2

About 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (PubChem CID 53167648) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
PubChem CID53167648
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)[nH]c2c(C(=O)N3CCSCC3)snc2c1=O
InChIInChI=1S/C12H14N4O3S2/c1-2-16-10(17)8-7(13-12(16)19)9(21-14-8)11(18)15-3-5-20-6-4-15/h2-6H2,1H3,(H,13,19)
InChIKeyFMGAPZAZFDHQJT-UHFFFAOYSA-N
XLogP0.36
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The IUPAC name of 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (CID 53167648) is 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is CCn1c(=O)[nH]c2c(C(=O)N3CCSCC3)snc2c1=O.
What is the InChIKey of 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The InChIKey is FMGAPZAZFDHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-2-16-10(17)8-7(13-12(16)19)9(21-14-8)11(18)15-3-5-20-6-4-15/h2-6H2,1H3,(H,13,19).
What are the key properties of 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione has a molecular weight of 326.40 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53167648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).