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

C7H14N4OS — CID 130992696

IUPAC3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
SMILESCCC(Nc1nc(N)ns1)C(C)O
InChIInChI=1S/C7H14N4OS/c1-3-5(4(2)12)9-7-10-6(8)11-13-7/h4-5,12H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyKNCAKXNTOSIOAU-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.69
Rot. Bonds4

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

3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol (PubChem CID 130992696) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
PubChem CID130992696
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
SMILESCCC(Nc1nc(N)ns1)C(C)O
InChIInChI=1S/C7H14N4OS/c1-3-5(4(2)12)9-7-10-6(8)11-13-7/h4-5,12H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyKNCAKXNTOSIOAU-UHFFFAOYSA-N
XLogP0.69
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The IUPAC name of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol (CID 130992696) is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol.
What is the SMILES notation for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The canonical SMILES for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol is CCC(Nc1nc(N)ns1)C(C)O.
What is the InChIKey of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The InChIKey is KNCAKXNTOSIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-3-5(4(2)12)9-7-10-6(8)11-13-7/h4-5,12H,3H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol has a molecular weight of 202.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol is sourced from PubChem (CID 130992696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).