ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate

C14H22N2O2S — CID 116526609

IUPACethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCCN(CC1CC1)c1nc(C(=O)OCC)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-4-8-16(9-11-6-7-11)14-15-12(10(3)19-14)13(17)18-5-2/h11H,4-9H2,1-3H3
InChIKeyNCLQFZFFPKAJGX-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.25
Rot. Bonds7

About ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116526609) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116526609
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCCN(CC1CC1)c1nc(C(=O)OCC)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-4-8-16(9-11-6-7-11)14-15-12(10(3)19-14)13(17)18-5-2/h11H,4-9H2,1-3H3
InChIKeyNCLQFZFFPKAJGX-UHFFFAOYSA-N
XLogP3.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
CID 80569174
ethyl 5-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 116526836
ethyl 5-methyl-2-[methyl-(4-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526736
1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750125
ethyl 2-[1-cyclopropylethyl(methyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526532
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526701
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 116527049
ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate
CID 116527071
5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62749832
ethyl 5-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 116526729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 116526609) is ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate is CCCN(CC1CC1)c1nc(C(=O)OCC)c(C)s1.
What is the InChIKey of ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is NCLQFZFFPKAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-8-16(9-11-6-7-11)14-15-12(10(3)19-14)13(17)18-5-2/h11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).