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

C20H20N4O3S — CID 42764224

IUPACethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(-c2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O3S/c1-2-27-18(25)12-21-19(26)22-16-10-6-7-14(11-16)17-13-28-20(24-17)23-15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,23,24)(H2,21,22,26)
InChIKeyMWGBFRQOCFCKPN-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.24
Rot. Bonds7

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

ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate (PubChem CID 42764224) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate
PubChem CID42764224
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Nameethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(-c2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O3S/c1-2-27-18(25)12-21-19(26)22-16-10-6-7-14(11-16)17-13-28-20(24-17)23-15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,23,24)(H2,21,22,26)
InChIKeyMWGBFRQOCFCKPN-UHFFFAOYSA-N
XLogP4.24
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]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

N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55356708
1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231442
ethyl 3-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]-2,2-dimethylpropanoate
CID 59117283
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
ethyl 3-[[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 164907004

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate (CID 42764224) is ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1cccc(-c2csc(Nc3ccccc3)n2)c1.
What is the InChIKey of ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate?
The InChIKey is MWGBFRQOCFCKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-27-18(25)12-21-19(26)22-16-10-6-7-14(11-16)17-13-28-20(24-17)23-15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,23,24)(H2,21,22,26).
What are the key properties of ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate?
ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate has a molecular weight of 396.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-anilino-1,3-thiazol-4-yl)phenyl]carbamoylamino]acetate is sourced from PubChem (CID 42764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).