(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid

C10H15N3O3S2 — CID 107775289

IUPAC(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
SMILESCCCc1nsc(SC[C@H](NC(C)=O)C(=O)O)n1
InChIInChI=1S/C10H15N3O3S2/c1-3-4-8-12-10(18-13-8)17-5-7(9(15)16)11-6(2)14/h7H,3-5H2,1-2H3,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeyKBBBRQKJNLVRIJ-ZETCQYMHSA-N
MW289.38 g/mol
LogP1.17
Rot. Bonds7

About (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid

(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid (PubChem CID 107775289) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
PubChem CID107775289
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
SMILESCCCc1nsc(SC[C@H](NC(C)=O)C(=O)O)n1
InChIInChI=1S/C10H15N3O3S2/c1-3-4-8-12-10(18-13-8)17-5-7(9(15)16)11-6(2)14/h7H,3-5H2,1-2H3,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeyKBBBRQKJNLVRIJ-ZETCQYMHSA-N
XLogP1.17
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid (CID 107775289) is (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid is CCCc1nsc(SC[C@H](NC(C)=O)C(=O)O)n1.
What is the InChIKey of (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid?
The InChIKey is KBBBRQKJNLVRIJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-3-4-8-12-10(18-13-8)17-5-7(9(15)16)11-6(2)14/h7H,3-5H2,1-2H3,(H,11,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid?
(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 107775289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).