methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate

C14H24N2O2S — CID 80572816

IUPACmethyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCC(CC)N(CC(C)C)c1ncc(C(=O)OC)s1
InChIInChI=1S/C14H24N2O2S/c1-6-11(7-2)16(9-10(3)4)14-15-8-12(19-14)13(17)18-5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyMZKLWHDLVACNQC-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.58
Rot. Bonds7

About methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80572816) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80572816
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Namemethyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCC(CC)N(CC(C)C)c1ncc(C(=O)OC)s1
InChIInChI=1S/C14H24N2O2S/c1-6-11(7-2)16(9-10(3)4)14-15-8-12(19-14)13(17)18-5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyMZKLWHDLVACNQC-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate (CID 80572816) is methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate is CCC(CC)N(CC(C)C)c1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is MZKLWHDLVACNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-11(7-2)16(9-10(3)4)14-15-8-12(19-14)13(17)18-5/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 284.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).