methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate

C12H18N2O3S — CID 43623929

IUPACmethyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1scnc1C)C(=O)OC
InChIInChI=1S/C12H18N2O3S/c1-5-6-12(3,11(16)17-4)14-10(15)9-8(2)13-7-18-9/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyJTVHDPULGPSAFR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.91
Rot. Bonds5

About methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate (PubChem CID 43623929) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate
PubChem CID43623929
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1scnc1C)C(=O)OC
InChIInChI=1S/C12H18N2O3S/c1-5-6-12(3,11(16)17-4)14-10(15)9-8(2)13-7-18-9/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyJTVHDPULGPSAFR-UHFFFAOYSA-N
XLogP1.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate (CID 43623929) is methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1scnc1C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate?
The InChIKey is JTVHDPULGPSAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-6-12(3,11(16)17-4)14-10(15)9-8(2)13-7-18-9/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate has a molecular weight of 270.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate is sourced from PubChem (CID 43623929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).