methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate

C11H15N5O2S — CID 115424250

IUPACmethyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2nncn2C)sc1C
InChIInChI=1S/C11H15N5O2S/c1-6(9-15-12-5-16(9)3)13-11-14-8(7(2)19-11)10(17)18-4/h5-6H,1-4H3,(H,13,14)
InChIKeyXHPMIJQAASHQHE-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.54
Rot. Bonds4

About methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 115424250) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID115424250
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Namemethyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2nncn2C)sc1C
InChIInChI=1S/C11H15N5O2S/c1-6(9-15-12-5-16(9)3)13-11-14-8(7(2)19-11)10(17)18-4/h5-6H,1-4H3,(H,13,14)
InChIKeyXHPMIJQAASHQHE-UHFFFAOYSA-N
XLogP1.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 4-chloro-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 62119442
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423794
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423867
methyl 2-amino-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoate
CID 115545800
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423925
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
2,2,2-trifluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63374666
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 116527076
ethyl 2-[1-(4-fluorophenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526620

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate (CID 115424250) is methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(C)c2nncn2C)sc1C.
What is the InChIKey of methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is XHPMIJQAASHQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-6(9-15-12-5-16(9)3)13-11-14-8(7(2)19-11)10(17)18-4/h5-6H,1-4H3,(H,13,14).
What are the key properties of methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 281.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).