N-[2-(4,4-dimethyl-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

C22H25N7O3S2 — CID 155806722

IUPACN-[2-(4,4-dimethyl-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(NCCN3CC(C)(C)NS3(=O)=O)n2)c1
InChIInChI=1S/C22H25N7O3S2/c1-22(2)14-28(34(30,31)27-22)10-9-24-20-23-8-7-17(25-20)19-18(26-21-29(19)11-12-33-21)15-5-4-6-16(13-15)32-3/h4-8,11-13,27H,9-10,14H2,1-3H3,(H,23,24,25)
InChIKeyWMWAPZMXZNHBPR-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.87
Rot. Bonds7

About N-[2-(4,4-dimethyl-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-(4,4-dimethyl-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 155806722) has the molecular formula C22H25N7O3S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[2-(4,4-dimethyl-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-(4,4-dimethyl-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 CID155806722
Molecular FormulaC22H25N7O3S2
Molecular Weight499.62 g/mol
Exact Mass499.15
IUPAC NameN-[2-(4,4-dimethyl-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(NCCN3CC(C)(C)NS3(=O)=O)n2)c1
InChIInChI=1S/C22H25N7O3S2/c1-22(2)14-28(34(30,31)27-22)10-9-24-20-23-8-7-17(25-20)19-18(26-21-29(19)11-12-33-21)15-5-4-6-16(13-15)32-3/h4-8,11-13,27H,9-10,14H2,1-3H3,(H,23,24,25)
InChIKeyWMWAPZMXZNHBPR-UHFFFAOYSA-N
XLogP2.87
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(4,4-dimethyl-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-(4,4-dimethyl-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-(4,4-dimethyl-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 155806722) is N-[2-(4,4-dimethyl-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-(4,4-dimethyl-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-(4,4-dimethyl-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(NCCN3CC(C)(C)NS3(=O)=O)n2)c1.
What is the InChIKey of N-[2-(4,4-dimethyl-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 WMWAPZMXZNHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S2/c1-22(2)14-28(34(30,31)27-22)10-9-24-20-23-8-7-17(25-20)19-18(26-21-29(19)11-12-33-21)15-5-4-6-16(13-15)32-3/h4-8,11-13,27H,9-10,14H2,1-3H3,(H,23,24,25).
What are the key properties of N-[2-(4,4-dimethyl-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-(4,4-dimethyl-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 499.62 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethyl-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 155806722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).