N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine

C19H19N7O2S2 — CID 138631865

IUPACN-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
SMILESO=S1(=O)NCCN1CCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C19H19N7O2S2/c27-30(28)22-9-11-25(30)10-8-21-18-20-7-6-15(23-18)17-16(14-4-2-1-3-5-14)24-19-26(17)12-13-29-19/h1-7,12-13,22H,8-11H2,(H,20,21,23)
InChIKeyVAPOFVOUIQWCBM-UHFFFAOYSA-N
MW441.54 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine

N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine (PubChem CID 138631865) has the molecular formula C19H19N7O2S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
PubChem CID138631865
Molecular FormulaC19H19N7O2S2
Molecular Weight441.54 g/mol
Exact Mass441.10
IUPAC NameN-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
SMILESO=S1(=O)NCCN1CCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C19H19N7O2S2/c27-30(28)22-9-11-25(30)10-8-21-18-20-7-6-15(23-18)17-16(14-4-2-1-3-5-14)24-19-26(17)12-13-29-19/h1-7,12-13,22H,8-11H2,(H,20,21,23)
InChIKeyVAPOFVOUIQWCBM-UHFFFAOYSA-N
XLogP2.08
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine (CID 138631865) is N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine is O=S1(=O)NCCN1CCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is VAPOFVOUIQWCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S2/c27-30(28)22-9-11-25(30)10-8-21-18-20-7-6-15(23-18)17-16(14-4-2-1-3-5-14)24-19-26(17)12-13-29-19/h1-7,12-13,22H,8-11H2,(H,20,21,23).
What are the key properties of N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 441.54 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 138631865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).