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

C7H13N3OS2 — CID 64813834

IUPAC1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
SMILESCc1nnc(SCCC(O)CN)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-3-2-6(11)4-8/h6,11H,2-4,8H2,1H3
InChIKeyLZNGWNUEHSNXAN-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.65
Rot. Bonds5

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

1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol (PubChem CID 64813834) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
PubChem CID64813834
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
SMILESCc1nnc(SCCC(O)CN)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-3-2-6(11)4-8/h6,11H,2-4,8H2,1H3
InChIKeyLZNGWNUEHSNXAN-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

1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
CID 22367316
1-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876761
1-(Methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876762
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propylamino)propan-2-ol
CID 60876944
1-(Ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876945
2-Ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 63071605
2-Ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 63071661
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
CID 63705020
2-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807889
2-Amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807894
2-Amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64808488
2-(Methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64808489

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The IUPAC name of 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol (CID 64813834) is 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol.
What is the SMILES notation for 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The canonical SMILES for 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol is Cc1nnc(SCCC(O)CN)s1.
What is the InChIKey of 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The InChIKey is LZNGWNUEHSNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-3-2-6(11)4-8/h6,11H,2-4,8H2,1H3.
What are the key properties of 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-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 1-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol is sourced from PubChem (CID 64813834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).