ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate

C14H14FN3O3S — CID 2813998

IUPACethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3S/c1-2-21-12(19)7-11-8-22-14(17-11)18-13(20)16-10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H2,16,17,18,20)
InChIKeyYNQFUQYAIBVKIB-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.03
Rot. Bonds5

About ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 2813998) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID2813998
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Nameethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3S/c1-2-21-12(19)7-11-8-22-14(17-11)18-13(20)16-10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H2,16,17,18,20)
InChIKeyYNQFUQYAIBVKIB-UHFFFAOYSA-N
XLogP3.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
Ethyl 2-((4-fluorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 935079
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
Ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2472130
2-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
CID 3145079
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794
Ethyl (2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2816687
Methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
CID 2741217
Ethyl (2-{[(4-phenyl-1-piperazinyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 6467578
[2-(4-Fluoro-phenylamino)-thiazol-4-yl]-acetic acid
CID 1133217
(2-{2-[1-(4-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazol-4-yl)-acetic acid ethyl ester
CID 645205

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (CID 2813998) is ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YNQFUQYAIBVKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-2-21-12(19)7-11-8-22-14(17-11)18-13(20)16-10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H2,16,17,18,20).
What are the key properties of ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 323.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2813998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).