ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine

C22H27FN6S — CID 143219842

IUPACethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine
SMILESC1CCNC1.CC.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C16H12FN5S.C4H9N.C2H6/c1-18-15-19-7-6-12(20-15)14-13(10-2-4-11(17)5-3-10)21-16-22(14)8-9-23-16;1-2-4-5-3-1;1-2/h2-9H,1H3,(H,18,19,20);5H,1-4H2;1-2H3
InChIKeyYLHXRPWEDMIDES-UHFFFAOYSA-N
MW426.57 g/mol
LogP5.10
Rot. Bonds3

About ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine

ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine (PubChem CID 143219842) has the molecular formula C22H27FN6S and a molecular weight of 426.57 g/mol. Its IUPAC name is ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine.

Molecular Properties

Compound Nameethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine
PubChem CID143219842
Molecular FormulaC22H27FN6S
Molecular Weight426.57 g/mol
Exact Mass426.20
IUPAC Nameethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine
SMILESC1CCNC1.CC.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C16H12FN5S.C4H9N.C2H6/c1-18-15-19-7-6-12(20-15)14-13(10-2-4-11(17)5-3-10)21-16-22(14)8-9-23-16;1-2-4-5-3-1;1-2/h2-9H,1H3,(H,18,19,20);5H,1-4H2;1-2H3
InChIKeyYLHXRPWEDMIDES-UHFFFAOYSA-N
XLogP5.10
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol
CID 58541773
N-(1H-benzimidazol-2-ylmethyl)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 58541794
methyl (3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-methylpentanoate
CID 58541839
ethyl 4-[5-[2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzoate
CID 57463193
4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
CID 142175941
tert-butyl 5-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-1-hydroxy-1-methyl-1-oxo-1,2,5-thiadiazolidine-2-carboxylate
CID 145437336
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]-1-(2-piperidin-1-ylethyl)hydrazine
CID 70831737
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 57433727
4-fluoro-N-[3-[[4-[6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 159652354
N-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide
CID 155816162
3-[5-[2-(piperidin-4-ylamino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzonitrile
CID 57433738
(2S)-2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-methylbutan-1-ol
CID 58541697

Frequently Asked Questions

What is the IUPAC name of ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine?
The IUPAC name of ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine (CID 143219842) is ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine.
What is the SMILES notation for ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine?
The canonical SMILES for ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine is C1CCNC1.CC.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1.
What is the InChIKey of ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine?
The InChIKey is YLHXRPWEDMIDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5S.C4H9N.C2H6/c1-18-15-19-7-6-12(20-15)14-13(10-2-4-11(17)5-3-10)21-16-22(14)8-9-23-16;1-2-4-5-3-1;1-2/h2-9H,1H3,(H,18,19,20);5H,1-4H2;1-2H3.
What are the key properties of ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine?
ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine has a molecular weight of 426.57 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine is sourced from PubChem (CID 143219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).