[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C22H30N6O2S — CID 26409113

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2n[nH]c3c2CCCC3)C[C@H](C)O1
InChIInChI=1S/C22H30N6O2S/c1-14-10-27(11-15(2)30-14)21(29)20-19(28-8-9-31-22(28)23-20)13-26(3)12-18-16-6-4-5-7-17(16)24-25-18/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,24,25)/t14-,15+
InChIKeyZFXMLEAXWCUYQD-GASCZTMLSA-N
MW442.59 g/mol
LogP2.88
Rot. Bonds5

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 26409113) has the molecular formula C22H30N6O2S and a molecular weight of 442.59 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID26409113
Molecular FormulaC22H30N6O2S
Molecular Weight442.59 g/mol
Exact Mass442.22
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2n[nH]c3c2CCCC3)C[C@H](C)O1
InChIInChI=1S/C22H30N6O2S/c1-14-10-27(11-15(2)30-14)21(29)20-19(28-8-9-31-22(28)23-20)13-26(3)12-18-16-6-4-5-7-17(16)24-25-18/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,24,25)/t14-,15+
InChIKeyZFXMLEAXWCUYQD-GASCZTMLSA-N
XLogP2.88
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 26409113) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]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-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is C[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2n[nH]c3c2CCCC3)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is ZFXMLEAXWCUYQD-GASCZTMLSA-N. The full InChI is InChI=1S/C22H30N6O2S/c1-14-10-27(11-15(2)30-14)21(29)20-19(28-8-9-31-22(28)23-20)13-26(3)12-18-16-6-4-5-7-17(16)24-25-18/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,24,25)/t14-,15+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 442.59 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 26409113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).