ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate

C15H20N2O2S2 — CID 80574794

IUPACethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(C)Cc2ccc(C)s2)n1
InChIInChI=1S/C15H20N2O2S2/c1-4-19-14(18)8-12-9-20-15(17-12)16-10(2)7-13-6-5-11(3)21-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyMUGIKLCKTQDLDT-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.66
Rot. Bonds7

About ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574794) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574794
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Nameethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(C)Cc2ccc(C)s2)n1
InChIInChI=1S/C15H20N2O2S2/c1-4-19-14(18)8-12-9-20-15(17-12)16-10(2)7-13-6-5-11(3)21-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyMUGIKLCKTQDLDT-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-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-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575699
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574170
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574724
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate (CID 80574794) is ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(C)Cc2ccc(C)s2)n1.
What is the InChIKey of ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MUGIKLCKTQDLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-4-19-14(18)8-12-9-20-15(17-12)16-10(2)7-13-6-5-11(3)21-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 324.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).