2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol

C5H9N3OS — CID 144635798

IUPAC2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol
SMILESCc1nnc(C(N)CO)s1
InChIInChI=1S/C5H9N3OS/c1-3-7-8-5(10-3)4(6)2-9/h4,9H,2,6H2,1H3
InChIKeyWRMGUSXIHHMHAR-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.16
Rot. Bonds2

About 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol

2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol (PubChem CID 144635798) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol
PubChem CID144635798
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol
SMILESCc1nnc(C(N)CO)s1
InChIInChI=1S/C5H9N3OS/c1-3-7-8-5(10-3)4(6)2-9/h4,9H,2,6H2,1H3
InChIKeyWRMGUSXIHHMHAR-UHFFFAOYSA-N
XLogP-0.16
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol?
The IUPAC name of 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol (CID 144635798) is 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol is Cc1nnc(C(N)CO)s1.
What is the InChIKey of 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol?
The InChIKey is WRMGUSXIHHMHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-3-7-8-5(10-3)4(6)2-9/h4,9H,2,6H2,1H3.
What are the key properties of 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol?
2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol has a molecular weight of 159.21 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol is sourced from PubChem (CID 144635798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).