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

C6H11N3OS — CID 65272930

IUPAC3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol
SMILESCc1nsc(C(CN)CO)n1
InChIInChI=1S/C6H11N3OS/c1-4-8-6(11-9-4)5(2-7)3-10/h5,10H,2-3,7H2,1H3
InChIKeySIOKVQMPBVZYDW-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.12
Rot. Bonds3

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

3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol (PubChem CID 65272930) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol
PubChem CID65272930
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol
SMILESCc1nsc(C(CN)CO)n1
InChIInChI=1S/C6H11N3OS/c1-4-8-6(11-9-4)5(2-7)3-10/h5,10H,2-3,7H2,1H3
InChIKeySIOKVQMPBVZYDW-UHFFFAOYSA-N
XLogP-0.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol (CID 65272930) is 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol is Cc1nsc(C(CN)CO)n1.
What is the InChIKey of 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
The InChIKey is SIOKVQMPBVZYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4-8-6(11-9-4)5(2-7)3-10/h5,10H,2-3,7H2,1H3.
What are the key properties of 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol has a molecular weight of 173.24 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 65272930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).