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

C16H16FN3O4S — CID 3193169

IUPACethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc(NC(=O)c2cccc(F)c2)nc1C
InChIInChI=1S/C16H16FN3O4S/c1-3-24-12(21)8-18-15(23)13-9(2)19-16(25-13)20-14(22)10-5-4-6-11(17)7-10/h4-7H,3,8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyDVPBEXPNYNWGRK-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.14
Rot. Bonds6

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

ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate (PubChem CID 3193169) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
PubChem CID3193169
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Nameethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc(NC(=O)c2cccc(F)c2)nc1C
InChIInChI=1S/C16H16FN3O4S/c1-3-24-12(21)8-18-15(23)13-9(2)19-16(25-13)20-14(22)10-5-4-6-11(17)7-10/h4-7H,3,8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyDVPBEXPNYNWGRK-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

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

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Related Compounds

ethyl 2-amino-3-[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]-3-oxopropanoate
CID 89313136
ethyl 2-[[2-[(4-tert-butylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
CID 4997068
2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94970466
ethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257222
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 3870990
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55894701
ethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 18227741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate (CID 3193169) is ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1sc(NC(=O)c2cccc(F)c2)nc1C.
What is the InChIKey of ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
The InChIKey is DVPBEXPNYNWGRK-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)10-5-4-6-11(17)7-10/h4-7H,3,8H2,1-2H3,(H,18,23)(H,19,20,22).
What are the key properties of ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate?
ethyl 2-[[2-[(3-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-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 3193169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).