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

C8H13F2N3OS — CID 106172174

IUPAC2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCCCc1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H13F2N3OS/c1-2-3-6-12-7(15-13-6)11-4-8(9,10)5-14/h14H,2-5H2,1H3,(H,11,12,13)
InChIKeyFAGTWNIXZNSDNR-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.53
Rot. Bonds6

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

2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (PubChem CID 106172174) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
PubChem CID106172174
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCCCc1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H13F2N3OS/c1-2-3-6-12-7(15-13-6)11-4-8(9,10)5-14/h14H,2-5H2,1H3,(H,11,12,13)
InChIKeyFAGTWNIXZNSDNR-UHFFFAOYSA-N
XLogP1.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (CID 106172174) is 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is CCCc1nsc(NCC(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The InChIKey is FAGTWNIXZNSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-2-3-6-12-7(15-13-6)11-4-8(9,10)5-14/h14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol has a molecular weight of 237.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 106172174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).