pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C18H22N4OS2 — CID 29087709

IUPACpyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@H](Cc1ccsc1)NCc1c(C(=O)N2CCCC2)nc2sccn12
InChIInChI=1S/C18H22N4OS2/c1-13(10-14-4-8-24-12-14)19-11-15-16(17(23)21-5-2-3-6-21)20-18-22(15)7-9-25-18/h4,7-9,12-13,19H,2-3,5-6,10-11H2,1H3/t13-/m1/s1
InChIKeyHUJNYVZHECWBPW-CYBMUJFWSA-N
MW374.54 g/mol
LogP3.41
Rot. Bonds6

About pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 29087709) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID29087709
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC Namepyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@H](Cc1ccsc1)NCc1c(C(=O)N2CCCC2)nc2sccn12
InChIInChI=1S/C18H22N4OS2/c1-13(10-14-4-8-24-12-14)19-11-15-16(17(23)21-5-2-3-6-21)20-18-22(15)7-9-25-18/h4,7-9,12-13,19H,2-3,5-6,10-11H2,1H3/t13-/m1/s1
InChIKeyHUJNYVZHECWBPW-CYBMUJFWSA-N
XLogP3.41
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[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
[5-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 31016740
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45176633
methyl 2-[[6-(4-methyl-1,4-diazepane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]-4-methylsulfanylbutanoate
CID 45247970
[8-methyl-3-[[[(2S)-1-pyridin-3-ylpropan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26404280
[8-methyl-3-[(1-pyridin-3-ylpropan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 45249556
piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
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
[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 28783501
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of 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) is pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is C[C@H](Cc1ccsc1)NCc1c(C(=O)N2CCCC2)nc2sccn12.
What is the InChIKey of pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is HUJNYVZHECWBPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-13(10-14-4-8-24-12-14)19-11-15-16(17(23)21-5-2-3-6-21)20-18-22(15)7-9-25-18/h4,7-9,12-13,19H,2-3,5-6,10-11H2,1H3/t13-/m1/s1.
What are the key properties of pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 374.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 29087709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).