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

C9H17N3OS2 — CID 64807890

IUPAC2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCc1nnc(SC(C)CC(C)(N)CO)s1
InChIInChI=1S/C9H17N3OS2/c1-6(4-9(3,10)5-13)14-8-12-11-7(2)15-8/h6,13H,4-5,10H2,1-3H3
InChIKeyZZDUWNGPRQICNN-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.43
Rot. Bonds5

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

2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 64807890) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID64807890
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCc1nnc(SC(C)CC(C)(N)CO)s1
InChIInChI=1S/C9H17N3OS2/c1-6(4-9(3,10)5-13)14-8-12-11-7(2)15-8/h6,13H,4-5,10H2,1-3H3
InChIKeyZZDUWNGPRQICNN-UHFFFAOYSA-N
XLogP1.43
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

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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]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-Amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 64808093
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-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (CID 64807890) is 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is Cc1nnc(SC(C)CC(C)(N)CO)s1.
What is the InChIKey of 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is ZZDUWNGPRQICNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-6(4-9(3,10)5-13)14-8-12-11-7(2)15-8/h6,13H,4-5,10H2,1-3H3.
What are the key properties of 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
2-amino-2-methyl-4-[(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, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 64807890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).