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

C6H11N3OS — CID 65268033

IUPAC1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(C)O)n1
InChIInChI=1S/C6H11N3OS/c1-4(10)3-7-6-8-5(2)9-11-6/h4,10H,3H2,1-2H3,(H,7,8,9)
InChIKeyAKGXSYXOSKRYSQ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.64
Rot. Bonds3

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

1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65268033) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65268033
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(C)O)n1
InChIInChI=1S/C6H11N3OS/c1-4(10)3-7-6-8-5(2)9-11-6/h4,10H,3H2,1-2H3,(H,7,8,9)
InChIKeyAKGXSYXOSKRYSQ-UHFFFAOYSA-N
XLogP0.64
TPSA58.04 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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65268033) is 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is Cc1nsc(NCC(C)O)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is AKGXSYXOSKRYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(10)3-7-6-8-5(2)9-11-6/h4,10H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 173.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65268033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).