[5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C20H28N4O2S — CID 45214817

IUPAC[5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESC=CCC(O)(CC=C)C(C)NCc1c(C(=O)N2CCCC2)nc2sccn12
InChIInChI=1S/C20H28N4O2S/c1-4-8-20(26,9-5-2)15(3)21-14-16-17(18(25)23-10-6-7-11-23)22-19-24(16)12-13-27-19/h4-5,12-13,15,21,26H,1-2,6-11,14H2,3H3
InChIKeyYYEQMMJGRXKADZ-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.99
Rot. Bonds9

About [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45214817) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID45214817
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name[5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESC=CCC(O)(CC=C)C(C)NCc1c(C(=O)N2CCCC2)nc2sccn12
InChIInChI=1S/C20H28N4O2S/c1-4-8-20(26,9-5-2)15(3)21-14-16-17(18(25)23-10-6-7-11-23)22-19-24(16)12-13-27-19/h4-5,12-13,15,21,26H,1-2,6-11,14H2,3H3
InChIKeyYYEQMMJGRXKADZ-UHFFFAOYSA-N
XLogP2.99
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 29087709
[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 45212751
piperidin-1-yl-[5-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42515139
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45176633
[5-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 31016740
methyl 2-[[6-(4-methyl-1,4-diazepane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]-4-methylsulfanylbutanoate
CID 45247970
piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
[5-[(3-hydroxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 56878530
[5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 25274683
azocan-1-yl-[5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42291044
pyrrolidin-1-yl-[5-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31054593
azocan-1-yl-[5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 30852089

Frequently Asked Questions

What is the IUPAC name of [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 45214817) is [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is C=CCC(O)(CC=C)C(C)NCc1c(C(=O)N2CCCC2)nc2sccn12.
What is the InChIKey of [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYEQMMJGRXKADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-4-8-20(26,9-5-2)15(3)21-14-16-17(18(25)23-10-6-7-11-23)22-19-24(16)12-13-27-19/h4-5,12-13,15,21,26H,1-2,6-11,14H2,3H3.
What are the key properties of [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 388.54 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45214817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).