ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

C16H15N3O4S2 — CID 10199594

IUPACethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C16H15N3O4S2/c1-2-23-14(20)9-12-10-24-16(18-12)19-25(21,22)13-7-3-5-11-6-4-8-17-15(11)13/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyJVAFXOOYGZUHAM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.60
Rot. Bonds6

About ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 10199594) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID10199594
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Nameethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C16H15N3O4S2/c1-2-23-14(20)9-12-10-24-16(18-12)19-25(21,22)13-7-3-5-11-6-4-8-17-15(11)13/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyJVAFXOOYGZUHAM-UHFFFAOYSA-N
XLogP2.60
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10202501
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
CID 35538530
sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 61456143
ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 16874821
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 10199594) is ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2cccc3cccnc23)n1.
What is the InChIKey of ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is JVAFXOOYGZUHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-2-23-14(20)9-12-10-24-16(18-12)19-25(21,22)13-7-3-5-11-6-4-8-17-15(11)13/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 377.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 10199594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).