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

C10H15N3O3S — CID 65204648

IUPAC2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1nnsc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(2)6-7(17-13-12-6)8(14)11-10(3,4)9(15)16/h5H,1-4H3,(H,11,14)(H,15,16)
InChIKeyOKOBGGWIQNRCSN-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.25
Rot. Bonds4

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

2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 65204648) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID65204648
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1nnsc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(2)6-7(17-13-12-6)8(14)11-10(3,4)9(15)16/h5H,1-4H3,(H,11,14)(H,15,16)
InChIKeyOKOBGGWIQNRCSN-UHFFFAOYSA-N
XLogP1.25
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid (CID 65204648) is 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid is CC(C)c1nnsc1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is OKOBGGWIQNRCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(2)6-7(17-13-12-6)8(14)11-10(3,4)9(15)16/h5H,1-4H3,(H,11,14)(H,15,16).
What are the key properties of 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65204648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).