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

C11H18N2O2S — CID 115423481

IUPACmethyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCC(C)N(CC)c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-8(3)13(6-2)11-12-9(7-16-11)10(14)15-4/h7-8H,5-6H2,1-4H3
InChIKeyGWUJGQPPTAAREQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.55
Rot. Bonds5

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

methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 115423481) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID115423481
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCC(C)N(CC)c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-8(3)13(6-2)11-12-9(7-16-11)10(14)15-4/h7-8H,5-6H2,1-4H3
InChIKeyGWUJGQPPTAAREQ-UHFFFAOYSA-N
XLogP2.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate
CID 103192406
methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569415
methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 70845802
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate
CID 113306874
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307008
methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
CID 115424126
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 105420744
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate (CID 115423481) is methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate is CCC(C)N(CC)c1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GWUJGQPPTAAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-8(3)13(6-2)11-12-9(7-16-11)10(14)15-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate?
methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 242.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).