2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C10H12N4O2S2 — CID 62209739

IUPAC2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCCS2(=O)=O)nc2sccc12
InChIInChI=1S/C10H12N4O2S2/c11-9-7-2-4-17-10(7)13-8(12-9)6-14-3-1-5-18(14,15)16/h2,4H,1,3,5-6H2,(H2,11,12,13)
InChIKeyJNWOOFPIALPOMA-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.81
Rot. Bonds2

About 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62209739) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62209739
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCCS2(=O)=O)nc2sccc12
InChIInChI=1S/C10H12N4O2S2/c11-9-7-2-4-17-10(7)13-8(12-9)6-14-3-1-5-18(14,15)16/h2,4H,1,3,5-6H2,(H2,11,12,13)
InChIKeyJNWOOFPIALPOMA-UHFFFAOYSA-N
XLogP0.81
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62209739) is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CN2CCCS2(=O)=O)nc2sccc12.
What is the InChIKey of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JNWOOFPIALPOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c11-9-7-2-4-17-10(7)13-8(12-9)6-14-3-1-5-18(14,15)16/h2,4H,1,3,5-6H2,(H2,11,12,13).
What are the key properties of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 284.37 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62209739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).