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

C10H19N3OS2 — CID 64808081

IUPAC2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nnc(C)s1
InChIInChI=1S/C10H19N3OS2/c1-8-12-13-9(16-8)15-6-4-5-10(2,7-14)11-3/h11,14H,4-7H2,1-3H3
InChIKeyWTDMKNVAYSIVDV-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.69
Rot. Bonds7

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

2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 64808081) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID64808081
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nnc(C)s1
InChIInChI=1S/C10H19N3OS2/c1-8-12-13-9(16-8)15-6-4-5-10(2,7-14)11-3/h11,14H,4-7H2,1-3H3
InChIKeyWTDMKNVAYSIVDV-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (CID 64808081) is 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is CNC(C)(CO)CCCSc1nnc(C)s1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is WTDMKNVAYSIVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-8-12-13-9(16-8)15-6-4-5-10(2,7-14)11-3/h11,14H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol has a molecular weight of 261.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 64808081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).