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

C13H13FN2O4S2 — CID 717529

IUPACethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2O4S2/c1-2-20-12(17)7-10-8-21-13(15-10)16-22(18,19)11-5-3-9(14)4-6-11/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyMHIBAPFQSMMVMN-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.19
Rot. Bonds6

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

ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 717529) has the molecular formula C13H13FN2O4S2 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID717529
Molecular FormulaC13H13FN2O4S2
Molecular Weight344.39 g/mol
Exact Mass344.03
IUPAC Nameethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2O4S2/c1-2-20-12(17)7-10-8-21-13(15-10)16-22(18,19)11-5-3-9(14)4-6-11/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyMHIBAPFQSMMVMN-UHFFFAOYSA-N
XLogP2.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-{[(4-bromophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1346454
[2-(3-Nitro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 3105419
Ethyl (2-{[(4-nitrophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1931972
Ethyl {2-[(benzylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 787285
[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
Ethyl [2-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814007
Ethyl (2-{[3-(phenylthio)propanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2228786
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
[2-(2,5-Dichloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1147620
Ethyl (2-{[(benzylsulfonyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1094090
Ethyl (2-{[3-(benzylsulfonyl)propanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2229763
Ethyl [2-({[(E)-2-phenylethenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 9924641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 717529) is ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MHIBAPFQSMMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S2/c1-2-20-12(17)7-10-8-21-13(15-10)16-22(18,19)11-5-3-9(14)4-6-11/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 344.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 717529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).