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

C8H14N4OS — CID 130601713

IUPAC1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol
SMILESCC(O)(CNc1nc(N)ns1)C1CC1
InChIInChI=1S/C8H14N4OS/c1-8(13,5-2-3-5)4-10-7-11-6(9)12-14-7/h5,13H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyZRPYYPPKYQDTOX-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.69
Rot. Bonds4

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

1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol (PubChem CID 130601713) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol
PubChem CID130601713
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol
SMILESCC(O)(CNc1nc(N)ns1)C1CC1
InChIInChI=1S/C8H14N4OS/c1-8(13,5-2-3-5)4-10-7-11-6(9)12-14-7/h5,13H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyZRPYYPPKYQDTOX-UHFFFAOYSA-N
XLogP0.69
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol (CID 130601713) is 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol is CC(O)(CNc1nc(N)ns1)C1CC1.
What is the InChIKey of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol?
The InChIKey is ZRPYYPPKYQDTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-8(13,5-2-3-5)4-10-7-11-6(9)12-14-7/h5,13H,2-4H2,1H3,(H3,9,10,11,12).
What are the key properties of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol?
1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol has a molecular weight of 214.29 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 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 130601713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).