ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen

C25H31FN6OS — CID 155735370

IUPACethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen
SMILESCC.CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.[H][H]
InChIInChI=1S/C23H23FN6OS.C2H6.H2/c1-2-15-12-25-22(26-13-15)27-14-16-6-5-9-29(16)21(31)20-19(17-7-3-4-8-18(17)24)28-23-30(20)10-11-32-23;1-2;/h3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);1-2H3;1H/t16-;;/m0../s1
InChIKeyWWTQMLRNRDKYKJ-SQKCAUCHSA-N
MW482.63 g/mol
LogP5.54
Rot. Bonds6

About ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen

ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen (PubChem CID 155735370) has the molecular formula C25H31FN6OS and a molecular weight of 482.63 g/mol. Its IUPAC name is ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Nameethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen
PubChem CID155735370
Molecular FormulaC25H31FN6OS
Molecular Weight482.63 g/mol
Exact Mass482.23
IUPAC Nameethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen
SMILESCC.CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.[H][H]
InChIInChI=1S/C23H23FN6OS.C2H6.H2/c1-2-15-12-25-22(26-13-15)27-14-16-6-5-9-29(16)21(31)20-19(17-7-3-4-8-18(17)24)28-23-30(20)10-11-32-23;1-2;/h3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);1-2H3;1H/t16-;;/m0../s1
InChIKeyWWTQMLRNRDKYKJ-SQKCAUCHSA-N
XLogP5.54
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen with MolForge

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Related Compounds

[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 155735371
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;methane;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrofluoride
CID 167700329
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 67090586
[(2S,3R)-3-ethyl-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone
CID 71715614
[(2S)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
CID 67090887
deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
CID 167537827
tert-butyl (2S)-2-[[(5-methylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 123611889
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25119659
N-[[(4R)-3-[5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073719
[(2S)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67089896
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118426768

Frequently Asked Questions

What is the IUPAC name of ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen?
The IUPAC name of ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen (CID 155735370) is ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen.
What is the SMILES notation for ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen?
The canonical SMILES for ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen is CC.CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.[H][H].
What is the InChIKey of ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen?
The InChIKey is WWTQMLRNRDKYKJ-SQKCAUCHSA-N. The full InChI is InChI=1S/C23H23FN6OS.C2H6.H2/c1-2-15-12-25-22(26-13-15)27-14-16-6-5-9-29(16)21(31)20-19(17-7-3-4-8-18(17)24)28-23-30(20)10-11-32-23;1-2;/h3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);1-2H3;1H/t16-;;/m0../s1.
What are the key properties of ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen?
ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen has a molecular weight of 482.63 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen is sourced from PubChem (CID 155735370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).