(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C8H14N4O2S2 — CID 7969462

IUPAC(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCOCCNc1nnc(S[C@H](C)C(N)=O)s1
InChIInChI=1S/C8H14N4O2S2/c1-5(6(9)13)15-8-12-11-7(16-8)10-3-4-14-2/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11)/t5-/m1/s1
InChIKeyWEHCHCJFCCYRQC-RXMQYKEDSA-N
MW262.36 g/mol
LogP0.56
Rot. Bonds7

About (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7969462) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID7969462
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCOCCNc1nnc(S[C@H](C)C(N)=O)s1
InChIInChI=1S/C8H14N4O2S2/c1-5(6(9)13)15-8-12-11-7(16-8)10-3-4-14-2/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11)/t5-/m1/s1
InChIKeyWEHCHCJFCCYRQC-RXMQYKEDSA-N
XLogP0.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 7969462) is (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is COCCNc1nnc(S[C@H](C)C(N)=O)s1.
What is the InChIKey of (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is WEHCHCJFCCYRQC-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-5(6(9)13)15-8-12-11-7(16-8)10-3-4-14-2/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 262.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7969462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).