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

C9H17N3OS2 — CID 64808093

IUPAC2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCc1nnc(SCCCC(C)(N)CO)s1
InChIInChI=1S/C9H17N3OS2/c1-7-11-12-8(15-7)14-5-3-4-9(2,10)6-13/h13H,3-6,10H2,1-2H3
InChIKeyRMGKVOBEUMUYQV-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.43
Rot. Bonds6

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

2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 64808093) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID64808093
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCc1nnc(SCCCC(C)(N)CO)s1
InChIInChI=1S/C9H17N3OS2/c1-7-11-12-8(15-7)14-5-3-4-9(2,10)6-13/h13H,3-6,10H2,1-2H3
InChIKeyRMGKVOBEUMUYQV-UHFFFAOYSA-N
XLogP1.43
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.43
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-Methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)pentan-1-ol
CID 64807888
2-Amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 64807890
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
2-Amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol
CID 64807895
2-Methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 64808081
2-Amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64808083
2-Methyl-2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 64808089
2-Methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentan-1-ol
CID 64808090
2-Cyclopropyl-2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64808096
2-Methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentan-1-ol
CID 64808278
2-Methyl-2-(methylamino)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol
CID 64808284

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (CID 64808093) is 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is Cc1nnc(SCCCC(C)(N)CO)s1.
What is the InChIKey of 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is RMGKVOBEUMUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-7-11-12-8(15-7)14-5-3-4-9(2,10)6-13/h13H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
2-amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol has a molecular weight of 247.39 g/mol, XLogP of 1.43, 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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 64808093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).