ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate

C14H25N3O2S — CID 106044664

IUPACethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCCN(C)C(C)C)sc1C
InChIInChI=1S/C14H25N3O2S/c1-6-19-13(18)12-11(4)20-14(16-12)15-8-7-9-17(5)10(2)3/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyYQAJQQZSZLYVNP-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.77
Rot. Bonds8

About ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate (PubChem CID 106044664) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
PubChem CID106044664
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nameethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCCN(C)C(C)C)sc1C
InChIInChI=1S/C14H25N3O2S/c1-6-19-13(18)12-11(4)20-14(16-12)15-8-7-9-17(5)10(2)3/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyYQAJQQZSZLYVNP-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
CID 106044654
methyl 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carboxylate
CID 106044634
ethyl 2-[1-(diethylamino)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526669
methyl 5-methyl-2-(5-methylhexylamino)-1,3-thiazole-4-carboxylate
CID 113307344
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 5-methyl-2-(3-pyrazol-1-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 116527096
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523
ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 105420733
ethyl 2-(heptan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526761
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
ethyl 5-acetyl-2-(3-sulfamoylpropylamino)-1,3-thiazole-4-carboxylate
CID 107377433

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate (CID 106044664) is ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCCCN(C)C(C)C)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is YQAJQQZSZLYVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-19-13(18)12-11(4)20-14(16-12)15-8-7-9-17(5)10(2)3/h10H,6-9H2,1-5H3,(H,15,16).
What are the key properties of ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 299.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106044664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).