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

C8H15N3OS — CID 65271270

IUPAC1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C(C)C)ns1
InChIInChI=1S/C8H15N3OS/c1-5(2)7-10-8(13-11-7)9-4-6(3)12/h5-6,12H,4H2,1-3H3,(H,9,10,11)
InChIKeyNUDOCZZRJPEEBY-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.45
Rot. Bonds4

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

1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65271270) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65271270
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C(C)C)ns1
InChIInChI=1S/C8H15N3OS/c1-5(2)7-10-8(13-11-7)9-4-6(3)12/h5-6,12H,4H2,1-3H3,(H,9,10,11)
InChIKeyNUDOCZZRJPEEBY-UHFFFAOYSA-N
XLogP1.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65271270) is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CC(O)CNc1nc(C(C)C)ns1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is NUDOCZZRJPEEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5(2)7-10-8(13-11-7)9-4-6(3)12/h5-6,12H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65271270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).