N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

C24H29N5O3S2 — CID 155815890

IUPACN-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccc(-c2nc3sccn3c2-c2ccnc(S(C)(=O)=O)n2)cc1)C(C)C
InChIInChI=1S/C24H29N5O3S2/c1-16(2)28(17(3)4)12-14-32-19-8-6-18(7-9-19)21-22(29-13-15-33-24(29)27-21)20-10-11-25-23(26-20)34(5,30)31/h6-11,13,15-17H,12,14H2,1-5H3
InChIKeyZWSCBPFVUSNXAF-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.42
Rot. Bonds9

About N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 155815890) has the molecular formula C24H29N5O3S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID155815890
Molecular FormulaC24H29N5O3S2
Molecular Weight499.66 g/mol
Exact Mass499.17
IUPAC NameN-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccc(-c2nc3sccn3c2-c2ccnc(S(C)(=O)=O)n2)cc1)C(C)C
InChIInChI=1S/C24H29N5O3S2/c1-16(2)28(17(3)4)12-14-32-19-8-6-18(7-9-19)21-22(29-13-15-33-24(29)27-21)20-10-11-25-23(26-20)34(5,30)31/h6-11,13,15-17H,12,14H2,1-5H3
InChIKeyZWSCBPFVUSNXAF-UHFFFAOYSA-N
XLogP4.42
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 155815890) is N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1ccc(-c2nc3sccn3c2-c2ccnc(S(C)(=O)=O)n2)cc1)C(C)C.
What is the InChIKey of N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZWSCBPFVUSNXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S2/c1-16(2)28(17(3)4)12-14-32-19-8-6-18(7-9-19)21-22(29-13-15-33-24(29)27-21)20-10-11-25-23(26-20)34(5,30)31/h6-11,13,15-17H,12,14H2,1-5H3.
What are the key properties of N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 499.66 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 155815890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).