methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate

C13H21N3O3S — CID 65204200

IUPACmethyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1snnc1C(C)C)C(=O)OC
InChIInChI=1S/C13H21N3O3S/c1-6-7-13(4,12(18)19-5)14-11(17)10-9(8(2)3)15-16-20-10/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyJULUUVKPXAZSIE-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.12
Rot. Bonds6

About methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate (PubChem CID 65204200) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate
PubChem CID65204200
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1snnc1C(C)C)C(=O)OC
InChIInChI=1S/C13H21N3O3S/c1-6-7-13(4,12(18)19-5)14-11(17)10-9(8(2)3)15-16-20-10/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyJULUUVKPXAZSIE-UHFFFAOYSA-N
XLogP2.12
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204609
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 107868025
N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 115310485
N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
CID 82725593
N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204345
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 114144262
methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
2-ethyl-2-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 115429419
methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
CID 78945933
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate (CID 65204200) is methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1snnc1C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate?
The InChIKey is JULUUVKPXAZSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-6-7-13(4,12(18)19-5)14-11(17)10-9(8(2)3)15-16-20-10/h8H,6-7H2,1-5H3,(H,14,17).
What are the key properties of methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate has a molecular weight of 299.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate is sourced from PubChem (CID 65204200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).