N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H19N5O2S2 — CID 166278916

IUPACN-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCN1C(C)(CNc2nc(-c3ccccn3)nc3sccc23)CCS1(=O)=O
InChIInChI=1S/C17H19N5O2S2/c1-17(7-10-26(23,24)22(17)2)11-19-14-12-6-9-25-16(12)21-15(20-14)13-5-3-4-8-18-13/h3-6,8-9H,7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyXKUCDFOLKDBGPF-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.59
Rot. Bonds4

About N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166278916) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166278916
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC NameN-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCN1C(C)(CNc2nc(-c3ccccn3)nc3sccc23)CCS1(=O)=O
InChIInChI=1S/C17H19N5O2S2/c1-17(7-10-26(23,24)22(17)2)11-19-14-12-6-9-25-16(12)21-15(20-14)13-5-3-4-8-18-13/h3-6,8-9H,7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyXKUCDFOLKDBGPF-UHFFFAOYSA-N
XLogP2.59
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 166278916) is N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is CN1C(C)(CNc2nc(-c3ccccn3)nc3sccc23)CCS1(=O)=O.
What is the InChIKey of N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XKUCDFOLKDBGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-17(7-10-26(23,24)22(17)2)11-19-14-12-6-9-25-16(12)21-15(20-14)13-5-3-4-8-18-13/h3-6,8-9H,7,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166278916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).