[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H20N4O2S — CID 96540784

IUPAC[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCN1Cc1cn2ccsc2n1)N1CCOCC1
InChIInChI=1S/C15H20N4O2S/c20-14(17-4-7-21-8-5-17)13-2-1-3-18(13)10-12-11-19-6-9-22-15(19)16-12/h6,9,11,13H,1-5,7-8,10H2/t13-/m1/s1
InChIKeyJMQLYZIFJIYBDN-CYBMUJFWSA-N
MW320.42 g/mol
LogP1.22
Rot. Bonds3

About [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 96540784) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID96540784
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCN1Cc1cn2ccsc2n1)N1CCOCC1
InChIInChI=1S/C15H20N4O2S/c20-14(17-4-7-21-8-5-17)13-2-1-3-18(13)10-12-11-19-6-9-22-15(19)16-12/h6,9,11,13H,1-5,7-8,10H2/t13-/m1/s1
InChIKeyJMQLYZIFJIYBDN-CYBMUJFWSA-N
XLogP1.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
CID 80998122
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115331879
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 77096881
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 40798058
morpholin-4-yl-[(2S)-1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]methanone
CID 77081618
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 115332595
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 91661825

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 96540784) is [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@H]1CCCN1Cc1cn2ccsc2n1)N1CCOCC1.
What is the InChIKey of [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is JMQLYZIFJIYBDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-14(17-4-7-21-8-5-17)13-2-1-3-18(13)10-12-11-19-6-9-22-15(19)16-12/h6,9,11,13H,1-5,7-8,10H2/t13-/m1/s1.
What are the key properties of [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 320.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 96540784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).