methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

C19H20FN3O2S — CID 59578831

IUPACmethyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCOC(=O)Cc1csc2nc(-c3ccccc3F)c(NC3CCCC3)n12
InChIInChI=1S/C19H20FN3O2S/c1-25-16(24)10-13-11-26-19-22-17(14-8-4-5-9-15(14)20)18(23(13)19)21-12-6-2-3-7-12/h4-5,8-9,11-12,21H,2-3,6-7,10H2,1H3
InChIKeyFUDAPSBUZUIYIA-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (PubChem CID 59578831) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
PubChem CID59578831
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Namemethyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCOC(=O)Cc1csc2nc(-c3ccccc3F)c(NC3CCCC3)n12
InChIInChI=1S/C19H20FN3O2S/c1-25-16(24)10-13-11-26-19-22-17(14-8-4-5-9-15(14)20)18(23(13)19)21-12-6-2-3-7-12/h4-5,8-9,11-12,21H,2-3,6-7,10H2,1H3
InChIKeyFUDAPSBUZUIYIA-UHFFFAOYSA-N
XLogP4.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The IUPAC name of methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (CID 59578831) is methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is COC(=O)Cc1csc2nc(-c3ccccc3F)c(NC3CCCC3)n12.
What is the InChIKey of methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The InChIKey is FUDAPSBUZUIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-25-16(24)10-13-11-26-19-22-17(14-8-4-5-9-15(14)20)18(23(13)19)21-12-6-2-3-7-12/h4-5,8-9,11-12,21H,2-3,6-7,10H2,1H3.
What are the key properties of methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate has a molecular weight of 373.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(cyclopentylamino)-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is sourced from PubChem (CID 59578831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).