methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate

C22H18FN3O3S — CID 42457098

IUPACmethyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C22H18FN3O3S/c1-29-21(28)17(11-14-5-3-2-4-6-14)24-20(27)19-13-30-22-25-18(12-26(19)22)15-7-9-16(23)10-8-15/h2-10,12-13,17H,11H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyAKMMQTFBOXJABV-KRWDZBQOSA-N
MW423.47 g/mol
LogP3.72
Rot. Bonds6

About methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate (PubChem CID 42457098) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
PubChem CID42457098
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Namemethyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C22H18FN3O3S/c1-29-21(28)17(11-14-5-3-2-4-6-14)24-20(27)19-13-30-22-25-18(12-26(19)22)15-7-9-16(23)10-8-15/h2-10,12-13,17H,11H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyAKMMQTFBOXJABV-KRWDZBQOSA-N
XLogP3.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

methyl 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 45193501
6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271579
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270462
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
dimethyl (2R)-2-[[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]butanedioate
CID 25287668
methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 45184945
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270471
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
6-(4-methoxyphenyl)-N-(2-phenylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270687

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate (CID 42457098) is methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is AKMMQTFBOXJABV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-29-21(28)17(11-14-5-3-2-4-6-14)24-20(27)19-13-30-22-25-18(12-26(19)22)15-7-9-16(23)10-8-15/h2-10,12-13,17H,11H2,1H3,(H,24,27)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 423.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 42457098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).