methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate

C14H18N2O2S2 — CID 115423867

IUPACmethyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(c2cccs2)C(C)C)sc1C
InChIInChI=1S/C14H18N2O2S2/c1-8(2)11(10-6-5-7-19-10)15-14-16-12(9(3)20-14)13(17)18-4/h5-8,11H,1-4H3,(H,15,16)
InChIKeyLHMOJDBEUZTALN-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.11
Rot. Bonds5

About methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 115423867) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID115423867
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Namemethyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(c2cccs2)C(C)C)sc1C
InChIInChI=1S/C14H18N2O2S2/c1-8(2)11(10-6-5-7-19-10)15-14-16-12(9(3)20-14)13(17)18-4/h5-8,11H,1-4H3,(H,15,16)
InChIKeyLHMOJDBEUZTALN-UHFFFAOYSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80569880
methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate
CID 106697008
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423794
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423925
methyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoate
CID 43774406
4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79146503
methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424812
methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 115424250
methyl 2-(2-bromoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423233
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858
methyl 5-methyl-2-(thiophen-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424395

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate (CID 115423867) is methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(c2cccs2)C(C)C)sc1C.
What is the InChIKey of methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is LHMOJDBEUZTALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-8(2)11(10-6-5-7-19-10)15-14-16-12(9(3)20-14)13(17)18-4/h5-8,11H,1-4H3,(H,15,16).
What are the key properties of methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).