(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid

C6H9N3O2S2 — CID 70428933

IUPAC(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCc1nnc(SC[C@@H](N)C(=O)O)s1
InChIInChI=1S/C6H9N3O2S2/c1-3-8-9-6(13-3)12-2-4(7)5(10)11/h4H,2,7H2,1H3,(H,10,11)/t4-/m1/s1
InChIKeyCQSPAMXRLIONGZ-SCSAIBSYSA-N
MW219.29 g/mol
LogP0.35
Rot. Bonds4

About (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid

(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 70428933) has the molecular formula C6H9N3O2S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
PubChem CID70428933
Molecular FormulaC6H9N3O2S2
Molecular Weight219.29 g/mol
Exact Mass219.01
IUPAC Name(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCc1nnc(SC[C@@H](N)C(=O)O)s1
InChIInChI=1S/C6H9N3O2S2/c1-3-8-9-6(13-3)12-2-4(7)5(10)11/h4H,2,7H2,1H3,(H,10,11)/t4-/m1/s1
InChIKeyCQSPAMXRLIONGZ-SCSAIBSYSA-N
XLogP0.35
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63033445
methyl 2-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 81092372
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082
methyl 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 65442411
2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63034349
2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoic acid
CID 63098255
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
CID 60876759
1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 107524859
N-(1-hydroxypropan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4668021
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoic acid
CID 79391151
N-carbamoyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 47135642
2-[2-(bromomethyl)butylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 65000393

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (CID 70428933) is (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is Cc1nnc(SC[C@@H](N)C(=O)O)s1.
What is the InChIKey of (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is CQSPAMXRLIONGZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9N3O2S2/c1-3-8-9-6(13-3)12-2-4(7)5(10)11/h4H,2,7H2,1H3,(H,10,11)/t4-/m1/s1.
What are the key properties of (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 219.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 70428933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).