2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

C6H11N3OS2 — CID 64806829

IUPAC2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESNC(CO)CCSc1nncs1
InChIInChI=1S/C6H11N3OS2/c7-5(3-10)1-2-11-6-9-8-4-12-6/h4-5,10H,1-3,7H2
InChIKeyQNKKKQILPFUIIV-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.34
Rot. Bonds5

About 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 64806829) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID64806829
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESNC(CO)CCSc1nncs1
InChIInChI=1S/C6H11N3OS2/c7-5(3-10)1-2-11-6-9-8-4-12-6/h4-5,10H,1-3,7H2
InChIKeyQNKKKQILPFUIIV-UHFFFAOYSA-N
XLogP0.34
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 64806829) is 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is NC(CO)CCSc1nncs1.
What is the InChIKey of 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is QNKKKQILPFUIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c7-5(3-10)1-2-11-6-9-8-4-12-6/h4-5,10H,1-3,7H2.
What are the key properties of 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 205.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64806829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).