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

C8H13N3OS — CID 65271271

IUPAC1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3OS/c1-5(12)4-9-8-10-7(11-13-8)6-2-3-6/h5-6,12H,2-4H2,1H3,(H,9,10,11)
InChIKeyHUCAMNTTWQEQFC-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.21
Rot. Bonds4

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

1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65271271) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65271271
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3OS/c1-5(12)4-9-8-10-7(11-13-8)6-2-3-6/h5-6,12H,2-4H2,1H3,(H,9,10,11)
InChIKeyHUCAMNTTWQEQFC-UHFFFAOYSA-N
XLogP1.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 102561715
4-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]but-2-yn-1-ol
CID 132300947
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736425
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
1,1,1-Trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103736428
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894633
1,1-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894635
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858587
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 104952794

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65271271) is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CC(O)CNc1nc(C2CC2)ns1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is HUCAMNTTWQEQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(12)4-9-8-10-7(11-13-8)6-2-3-6/h5-6,12H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 199.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65271271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).