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

C20H21N7O3S2 — CID 138632016

IUPACN-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCNS3(=O)=O)n2)c1
InChIInChI=1S/C20H21N7O3S2/c1-30-15-4-2-3-14(13-15)17-18(27-11-12-31-20(27)25-17)16-5-6-21-19(24-16)22-7-9-26-10-8-23-32(26,28)29/h2-6,11-13,23H,7-10H2,1H3,(H,21,22,24)
InChIKeyGQPBYHMBPTVCKA-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[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-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine (PubChem CID 138632016) has the molecular formula C20H21N7O3S2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[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-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
PubChem CID138632016
Molecular FormulaC20H21N7O3S2
Molecular Weight471.57 g/mol
Exact Mass471.11
IUPAC NameN-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCNS3(=O)=O)n2)c1
InChIInChI=1S/C20H21N7O3S2/c1-30-15-4-2-3-14(13-15)17-18(27-11-12-31-20(27)25-17)16-5-6-21-19(24-16)22-7-9-26-10-8-23-32(26,28)29/h2-6,11-13,23H,7-10H2,1H3,(H,21,22,24)
InChIKeyGQPBYHMBPTVCKA-UHFFFAOYSA-N
XLogP2.09
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine with MolForge

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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-(3-methoxyphenyl)imidazo[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-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine (CID 138632016) is N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[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-(3-methoxyphenyl)imidazo[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-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine is COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCNS3(=O)=O)n2)c1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is GQPBYHMBPTVCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S2/c1-30-15-4-2-3-14(13-15)17-18(27-11-12-31-20(27)25-17)16-5-6-21-19(24-16)22-7-9-26-10-8-23-32(26,28)29/h2-6,11-13,23H,7-10H2,1H3,(H,21,22,24).
What are the key properties of N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[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-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 471.57 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 138632016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).