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

C19H26N6O2S — CID 45190472

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1cc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)nn1C
InChIInChI=1S/C19H26N6O2S/c1-12-7-15(22-23(12)4)8-20-9-16-17(21-19-25(16)5-6-28-19)18(26)24-10-13(2)27-14(3)11-24/h5-7,13-14,20H,8-11H2,1-4H3/t13-,14+
InChIKeyDTYYDLANEHCPEC-OKILXGFUSA-N
MW402.52 g/mol
LogP1.98
Rot. Bonds5

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 45190472) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID45190472
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1cc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)nn1C
InChIInChI=1S/C19H26N6O2S/c1-12-7-15(22-23(12)4)8-20-9-16-17(21-19-25(16)5-6-28-19)18(26)24-10-13(2)27-14(3)11-24/h5-7,13-14,20H,8-11H2,1-4H3/t13-,14+
InChIKeyDTYYDLANEHCPEC-OKILXGFUSA-N
XLogP1.98
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50950166
6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 50953495
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50964579
N-cyclopropyl-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50984047
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 53588532
N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70717198
6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 70727112
2-(5-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-1-yl)-N-(thiazol-2-yl)acetamide
CID 42285717
[5-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 56861053
N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70758139
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 74250606
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97941076

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 45190472) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is Cc1cc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)nn1C.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is DTYYDLANEHCPEC-OKILXGFUSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-12-7-15(22-23(12)4)8-20-9-16-17(21-19-25(16)5-6-28-19)18(26)24-10-13(2)27-14(3)11-24/h5-7,13-14,20H,8-11H2,1-4H3/t13-,14+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 402.52 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(1,5-dimethylpyrazol-3-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 45190472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).