ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate

C13H19N5O2S — CID 103488214

IUPACethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C13H19N5O2S/c1-3-20-12(19)5-4-10-8-21-13(16-10)14-7-6-11-15-9-18(2)17-11/h8-9H,3-7H2,1-2H3,(H,14,16)
InChIKeyGKGOGCGASZLEKG-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.42
Rot. Bonds8

About ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103488214) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
PubChem CID103488214
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Nameethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCCc2ncn(C)n2)n1
InChIInChI=1S/C13H19N5O2S/c1-3-20-12(19)5-4-10-8-21-13(16-10)14-7-6-11-15-9-18(2)17-11/h8-9H,3-7H2,1-2H3,(H,14,16)
InChIKeyGKGOGCGASZLEKG-UHFFFAOYSA-N
XLogP1.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate 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 3-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106106701
ethyl 3-[2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103488217
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488356
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 3-[2-(3,5-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 103486013
ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486583
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488583
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate (CID 103488214) is ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NCCc2ncn(C)n2)n1.
What is the InChIKey of ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is GKGOGCGASZLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-20-12(19)5-4-10-8-21-13(16-10)14-7-6-11-15-9-18(2)17-11/h8-9H,3-7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 309.40 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103488214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).