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

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Related Compounds

methyl 2-[2-cyanoethyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
CID 80570951
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 80571148
methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate
CID 80571032
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone
CID 103191868
2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569415
methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 80571139
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489574
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
CID 80571719
methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 115424090
6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
CID 79489836

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).