2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol

C8H15N3OS2 — CID 64806204

IUPAC2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(N)(CO)CCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-8(9,5-12)3-2-4-13-7-11-10-6-14-7/h6,12H,2-5,9H2,1H3
InChIKeyMNNKBAJNBBFFHQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.12
Rot. Bonds6

About 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol

2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64806204) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64806204
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(N)(CO)CCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-8(9,5-12)3-2-4-13-7-11-10-6-14-7/h6,12H,2-5,9H2,1H3
InChIKeyMNNKBAJNBBFFHQ-UHFFFAOYSA-N
XLogP1.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805388
1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
CID 64812783
3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 43388629
2-ethyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 106810940
2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
CID 64806619
2,2-dimethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexanenitrile
CID 106712592
N-tert-butyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577258
2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64807439
2,2-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile
CID 65176275
N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide
CID 43187822
2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805993
2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol
CID 64808173

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (CID 64806204) is 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is CC(N)(CO)CCCSc1nncs1.
What is the InChIKey of 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is MNNKBAJNBBFFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-8(9,5-12)3-2-4-13-7-11-10-6-14-7/h6,12H,2-5,9H2,1H3.
What are the key properties of 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64806204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).