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

C14H16N2O4S3 — CID 1250173

IUPACethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(SC)cc2)n1
InChIInChI=1S/C14H16N2O4S3/c1-3-20-13(17)8-10-9-22-14(15-10)16-23(18,19)12-6-4-11(21-2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyATSHFHKMSVYVPH-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.77
Rot. Bonds7

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

ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 1250173) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID1250173
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC Nameethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(SC)cc2)n1
InChIInChI=1S/C14H16N2O4S3/c1-3-20-13(17)8-10-9-22-14(15-10)16-23(18,19)12-6-4-11(21-2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyATSHFHKMSVYVPH-UHFFFAOYSA-N
XLogP2.77
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 717529
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-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
CID 3145079
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-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
[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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 1250173) is ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(SC)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ATSHFHKMSVYVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c1-3-20-13(17)8-10-9-22-14(15-10)16-23(18,19)12-6-4-11(21-2)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 372.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methylsulfanylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1250173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).