methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C17H13FN2O3S2 — CID 38986062

IUPACmethyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n1
InChIInChI=1S/C17H13FN2O3S2/c1-23-15(21)8-12-9-24-17(19-12)20-16(22)14-7-6-13(25-14)10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,19,20,22)
InChIKeyYPXVNPMGURGBQA-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.98
Rot. Bonds5

About methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 38986062) has the molecular formula C17H13FN2O3S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID38986062
Molecular FormulaC17H13FN2O3S2
Molecular Weight376.43 g/mol
Exact Mass376.04
IUPAC Namemethyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n1
InChIInChI=1S/C17H13FN2O3S2/c1-23-15(21)8-12-9-24-17(19-12)20-16(22)14-7-6-13(25-14)10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,19,20,22)
InChIKeyYPXVNPMGURGBQA-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 38986062) is methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n1.
What is the InChIKey of methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YPXVNPMGURGBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S2/c1-23-15(21)8-12-9-24-17(19-12)20-16(22)14-7-6-13(25-14)10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,19,20,22).
What are the key properties of methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 376.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 38986062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).