ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate

C13H24N4O2S — CID 103384853

IUPACethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)CCCN(C)C
InChIInChI=1S/C13H24N4O2S/c1-5-17(9-7-8-16(3)4)12-10(11(14)15-20-12)13(18)19-6-2/h5-9H2,1-4H3,(H2,14,15)
InChIKeyGRRZFTLBGCTIQV-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.68
Rot. Bonds8

About ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103384853) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
PubChem CID103384853
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Nameethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)CCCN(C)C
InChIInChI=1S/C13H24N4O2S/c1-5-17(9-7-8-16(3)4)12-10(11(14)15-20-12)13(18)19-6-2/h5-9H2,1-4H3,(H2,14,15)
InChIKeyGRRZFTLBGCTIQV-UHFFFAOYSA-N
XLogP1.68
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate (CID 103384853) is ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(CC)CCCN(C)C.
What is the InChIKey of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is GRRZFTLBGCTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-17(9-7-8-16(3)4)12-10(11(14)15-20-12)13(18)19-6-2/h5-9H2,1-4H3,(H2,14,15).
What are the key properties of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 300.43 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103384853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).