methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate

C10H15N3O4S — CID 114283611

IUPACmethyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(15)11-6(4-14)10(16)17-3/h5-6,14H,4H2,1-3H3,(H,11,15)/t6-/m0/s1
InChIKeyBHTCXCJOLNQCFS-LURJTMIESA-N
MW273.31 g/mol
LogP-0.07
Rot. Bonds5

About methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate

methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate (PubChem CID 114283611) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
PubChem CID114283611
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(15)11-6(4-14)10(16)17-3/h5-6,14H,4H2,1-3H3,(H,11,15)/t6-/m0/s1
InChIKeyBHTCXCJOLNQCFS-LURJTMIESA-N
XLogP-0.07
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate (CID 114283611) is methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate is COC(=O)[C@H](CO)NC(=O)c1snnc1C(C)C.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate?
The InChIKey is BHTCXCJOLNQCFS-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(15)11-6(4-14)10(16)17-3/h5-6,14H,4H2,1-3H3,(H,11,15)/t6-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate?
methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate has a molecular weight of 273.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 114283611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).