ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate

C16H16FN3O4S — CID 655688

IUPACethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C
InChIInChI=1S/C16H16FN3O4S/c1-3-24-12(21)8-18-15(23)13-9(2)19-16(25-13)20-14(22)10-6-4-5-7-11(10)17/h4-7H,3,8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyIHFWDNOFDRSICE-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.14
Rot. Bonds6

About ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate

ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate (PubChem CID 655688) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
PubChem CID655688
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Nameethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C
InChIInChI=1S/C16H16FN3O4S/c1-3-24-12(21)8-18-15(23)13-9(2)19-16(25-13)20-14(22)10-6-4-5-7-11(10)17/h4-7H,3,8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyIHFWDNOFDRSICE-UHFFFAOYSA-N
XLogP2.14
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate (CID 655688) is ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C.
What is the InChIKey of ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
The InChIKey is IHFWDNOFDRSICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-3-24-12(21)8-18-15(23)13-9(2)19-16(25-13)20-14(22)10-6-4-5-7-11(10)17/h4-7H,3,8H2,1-2H3,(H,18,23)(H,19,20,22).
What are the key properties of ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate has a molecular weight of 365.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 655688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).