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

C6H11N3OS2 — CID 64897891

IUPAC3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCC(N)C(CO)Sc1nncs1
InChIInChI=1S/C6H11N3OS2/c1-4(7)5(2-10)12-6-9-8-3-11-6/h3-5,10H,2,7H2,1H3
InChIKeyICWFDOUODFGVAO-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.34
Rot. Bonds4

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

3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 64897891) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID64897891
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCC(N)C(CO)Sc1nncs1
InChIInChI=1S/C6H11N3OS2/c1-4(7)5(2-10)12-6-9-8-3-11-6/h3-5,10H,2,7H2,1H3
InChIKeyICWFDOUODFGVAO-UHFFFAOYSA-N
XLogP0.34
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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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Related Compounds

2-Amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805387
2-Amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805388
2-(Methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805590
2-(Ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805793
2-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805989
2-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806202
2-Amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806405
2-Amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64806829
2-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806830
1-Amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol
CID 64812993
3-Amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64897935
3-Amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64898311

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 64897891) is 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is CC(N)C(CO)Sc1nncs1.
What is the InChIKey of 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is ICWFDOUODFGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-4(7)5(2-10)12-6-9-8-3-11-6/h3-5,10H,2,7H2,1H3.
What are the key properties of 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 205.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64897891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).