ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate

C14H23N3O3S — CID 79371215

IUPACethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCCCN1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-3-20-14(18)12-11(2)16-21-13(12)15-5-4-6-17-7-9-19-10-8-17/h15H,3-10H2,1-2H3
InChIKeyAUVTYTKGAFPTLR-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.76
Rot. Bonds7

About ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate

ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate (PubChem CID 79371215) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate
PubChem CID79371215
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nameethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCCCN1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-3-20-14(18)12-11(2)16-21-13(12)15-5-4-6-17-7-9-19-10-8-17/h15H,3-10H2,1-2H3
InChIKeyAUVTYTKGAFPTLR-UHFFFAOYSA-N
XLogP1.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-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

Related Compounds

ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate
CID 14500734
ethyl 5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376446
methyl 3-amino-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carboxylate
CID 103382611
ethyl 5-[[4-(cyclopropylamino)-4-oxobutyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79382005
ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 79363751
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 79371431
ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
CID 79364480
ethyl 7,8-dichloro-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
CID 2790720
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990
ethyl 3-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]-1,2-thiazole-4-carboxylate
CID 79363581

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate (CID 79371215) is ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCCCN1CCOCC1.
What is the InChIKey of ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is AUVTYTKGAFPTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-20-14(18)12-11(2)16-21-13(12)15-5-4-6-17-7-9-19-10-8-17/h15H,3-10H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 313.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79371215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).