N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine

C20H21N5O3S2 — CID 155809869

IUPACN,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2nc3sccn3c2-c2ccnc(S(C)(=O)=O)n2)cc1
InChIInChI=1S/C20H21N5O3S2/c1-24(2)10-12-28-15-6-4-14(5-7-15)17-18(25-11-13-29-20(25)23-17)16-8-9-21-19(22-16)30(3,26)27/h4-9,11,13H,10,12H2,1-3H3
InChIKeyBFSLIEKYKKPYET-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.86
Rot. Bonds7

About N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine (PubChem CID 155809869) has the molecular formula C20H21N5O3S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine
PubChem CID155809869
Molecular FormulaC20H21N5O3S2
Molecular Weight443.55 g/mol
Exact Mass443.11
IUPAC NameN,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2nc3sccn3c2-c2ccnc(S(C)(=O)=O)n2)cc1
InChIInChI=1S/C20H21N5O3S2/c1-24(2)10-12-28-15-6-4-14(5-7-15)17-18(25-11-13-29-20(25)23-17)16-8-9-21-19(22-16)30(3,26)27/h4-9,11,13H,10,12H2,1-3H3
InChIKeyBFSLIEKYKKPYET-UHFFFAOYSA-N
XLogP2.86
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine (CID 155809869) is N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine is CN(C)CCOc1ccc(-c2nc3sccn3c2-c2ccnc(S(C)(=O)=O)n2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine?
The InChIKey is BFSLIEKYKKPYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S2/c1-24(2)10-12-28-15-6-4-14(5-7-15)17-18(25-11-13-29-20(25)23-17)16-8-9-21-19(22-16)30(3,26)27/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine has a molecular weight of 443.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethanamine is sourced from PubChem (CID 155809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).