[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C21H30N6O2S — CID 45252857

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCCn1nc(C)c(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1C
InChIInChI=1S/C21H30N6O2S/c1-6-27-16(5)17(15(4)24-27)9-22-10-18-19(23-21-26(18)7-8-30-21)20(28)25-11-13(2)29-14(3)12-25/h7-8,13-14,22H,6,9-12H2,1-5H3/t13-,14+
InChIKeyZXUGUTXRCVQDCK-OKILXGFUSA-N
MW430.58 g/mol
LogP2.77
Rot. Bonds6

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 45252857) has the molecular formula C21H30N6O2S and a molecular weight of 430.58 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID45252857
Molecular FormulaC21H30N6O2S
Molecular Weight430.58 g/mol
Exact Mass430.22
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCCn1nc(C)c(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1C
InChIInChI=1S/C21H30N6O2S/c1-6-27-16(5)17(15(4)24-27)9-22-10-18-19(23-21-26(18)7-8-30-21)20(28)25-11-13(2)29-14(3)12-25/h7-8,13-14,22H,6,9-12H2,1-5H3/t13-,14+
InChIKeyZXUGUTXRCVQDCK-OKILXGFUSA-N
XLogP2.77
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 45252857) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is CCn1nc(C)c(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1C.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is ZXUGUTXRCVQDCK-OKILXGFUSA-N. The full InChI is InChI=1S/C21H30N6O2S/c1-6-27-16(5)17(15(4)24-27)9-22-10-18-19(23-21-26(18)7-8-30-21)20(28)25-11-13(2)29-14(3)12-25/h7-8,13-14,22H,6,9-12H2,1-5H3/t13-,14+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 430.58 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 45252857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).