3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one

C12H12N4OS2 — CID 39826511

IUPAC3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CCc3csc(N)n3)cnc2s1
InChIInChI=1S/C12H12N4OS2/c1-7-4-9-10(19-7)14-6-16(11(9)17)3-2-8-5-18-12(13)15-8/h4-6H,2-3H2,1H3,(H2,13,15)
InChIKeyDTUDXHRTVPFDAG-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.05
Rot. Bonds3

About 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one

3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 39826511) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID39826511
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CCc3csc(N)n3)cnc2s1
InChIInChI=1S/C12H12N4OS2/c1-7-4-9-10(19-7)14-6-16(11(9)17)3-2-8-5-18-12(13)15-8/h4-6H,2-3H2,1H3,(H2,13,15)
InChIKeyDTUDXHRTVPFDAG-UHFFFAOYSA-N
XLogP2.05
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39760848
6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 144895692
3-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 166301450
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
3-[(2-amino-1,3-thiazol-4-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341564
3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118286876
6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 82147197
3-[3-(2-amino-1,3-thiazol-4-yl)propyl]pyrido[3,2-d]pyrimidin-4-one;formic acid
CID 154909596
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812
3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164887

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one (CID 39826511) is 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(CCc3csc(N)n3)cnc2s1.
What is the InChIKey of 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is DTUDXHRTVPFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-7-4-9-10(19-7)14-6-16(11(9)17)3-2-8-5-18-12(13)15-8/h4-6H,2-3H2,1H3,(H2,13,15).
What are the key properties of 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one?
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 292.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39826511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).