6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione

C13H12N4O2S2 — CID 9232801

IUPAC6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(-c3ccsc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12N4O2S2/c1-2-17-10(14)9(11(18)16-13(17)19)8-6-21-12(15-8)7-3-4-20-5-7/h3-6H,2,14H2,1H3,(H,16,18,19)
InChIKeyKPSBZTXXBFHTRH-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.99
Rot. Bonds3

About 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione (PubChem CID 9232801) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
PubChem CID9232801
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(-c3ccsc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12N4O2S2/c1-2-17-10(14)9(11(18)16-13(17)19)8-6-21-12(15-8)7-3-4-20-5-7/h3-6H,2,14H2,1H3,(H,16,18,19)
InChIKeyKPSBZTXXBFHTRH-UHFFFAOYSA-N
XLogP1.99
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione (CID 9232801) is 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione is CCn1c(N)c(-c2csc(-c3ccsc3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The InChIKey is KPSBZTXXBFHTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-2-17-10(14)9(11(18)16-13(17)19)8-6-21-12(15-8)7-3-4-20-5-7/h3-6H,2,14H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione has a molecular weight of 320.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 9232801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).