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

C12H13ClN2O2S2 — CID 115423794

IUPACmethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2ccc(Cl)s2)sc1C
InChIInChI=1S/C12H13ClN2O2S2/c1-6(8-4-5-9(13)19-8)14-12-15-10(7(2)18-12)11(16)17-3/h4-6H,1-3H3,(H,14,15)
InChIKeyMZTILTKRBNLFKP-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.13
Rot. Bonds4

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

methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115423794) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115423794
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2ccc(Cl)s2)sc1C
InChIInChI=1S/C12H13ClN2O2S2/c1-6(8-4-5-9(13)19-8)14-12-15-10(7(2)18-12)11(16)17-3/h4-6H,1-3H3,(H,14,15)
InChIKeyMZTILTKRBNLFKP-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423867
methyl 5-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 115424250
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
methyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575155
methyl 4-chloro-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43714756
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424812
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423925
methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate
CID 106697008
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 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate (CID 115423794) is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(C)c2ccc(Cl)s2)sc1C.
What is the InChIKey of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is MZTILTKRBNLFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-6(8-4-5-9(13)19-8)14-12-15-10(7(2)18-12)11(16)17-3/h4-6H,1-3H3,(H,14,15).
What are the key properties of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 316.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).