2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

C7H13N3OS2 — CID 64805993

IUPAC2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCNC(C)(CO)CSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-7(3-11,8-2)4-12-6-10-9-5-13-6/h5,8,11H,3-4H2,1-2H3
InChIKeyFQIAQCUCELZDJM-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.60
Rot. Bonds5

About 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (PubChem CID 64805993) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
PubChem CID64805993
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCNC(C)(CO)CSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-7(3-11,8-2)4-12-6-10-9-5-13-6/h5,8,11H,3-4H2,1-2H3
InChIKeyFQIAQCUCELZDJM-UHFFFAOYSA-N
XLogP0.60
TPSA58.04 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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (CID 64805993) is 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is CNC(C)(CO)CSc1nncs1.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is FQIAQCUCELZDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-7(3-11,8-2)4-12-6-10-9-5-13-6/h5,8,11H,3-4H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 64805993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).