methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate

C10H16N2O2S — CID 115423463

IUPACmethyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC(C)C)n1
InChIInChI=1S/C10H16N2O2S/c1-7(2)5-12(3)10-11-8(6-15-10)9(13)14-4/h6-7H,5H2,1-4H3
InChIKeyDYJCBTPIPJQRNX-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.02
Rot. Bonds4

About methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate

methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 115423463) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID115423463
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC(C)C)n1
InChIInChI=1S/C10H16N2O2S/c1-7(2)5-12(3)10-11-8(6-15-10)9(13)14-4/h6-7H,5H2,1-4H3
InChIKeyDYJCBTPIPJQRNX-UHFFFAOYSA-N
XLogP2.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate (CID 115423463) is methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)CC(C)C)n1.
What is the InChIKey of methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is DYJCBTPIPJQRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)5-12(3)10-11-8(6-15-10)9(13)14-4/h6-7H,5H2,1-4H3.
What are the key properties of methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate?
methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).