2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

C10H13N3O3S — CID 43162998

IUPAC2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3S/c1-5-7(17-13-12-5)8(14)11-10(2,9(15)16)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQFJZMSYJIQORKN-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.83
Rot. Bonds4

About 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 43162998) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID43162998
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3S/c1-5-7(17-13-12-5)8(14)11-10(2,9(15)16)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQFJZMSYJIQORKN-UHFFFAOYSA-N
XLogP0.83
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (CID 43162998) is 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is Cc1nnsc1C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is QFJZMSYJIQORKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5-7(17-13-12-5)8(14)11-10(2,9(15)16)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 255.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43162998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).