2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol

C7H13N3OS2 — CID 64808488

IUPAC2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nnc(SCCC(N)CO)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-3-2-6(8)4-11/h6,11H,2-4,8H2,1H3
InChIKeyDOKBDBPDYMRUAG-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.65
Rot. Bonds5

About 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol

2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 64808488) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
PubChem CID64808488
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nnc(SCCC(N)CO)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-3-2-6(8)4-11/h6,11H,2-4,8H2,1H3
InChIKeyDOKBDBPDYMRUAG-UHFFFAOYSA-N
XLogP0.65
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol
CID 144635798
1-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876761
2-(Ethylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64807885
2-(Ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807887
2-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807889
2-Amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64807893
2-Amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807894
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
CID 64807896
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol
CID 64808082
2-Methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
CID 64808087
2-(Methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64808088
2-(Cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64808091

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (CID 64808488) is 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is Cc1nnc(SCCC(N)CO)s1.
What is the InChIKey of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is DOKBDBPDYMRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-3-2-6(8)4-11/h6,11H,2-4,8H2,1H3.
What are the key properties of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 64808488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).