2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol

C10H18F2N4OS — CID 107486197

IUPAC2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol
SMILESCCCNc1nnc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C10H18F2N4OS/c1-2-3-13-10-15-14-9(18-10)7-16(4-5-17)6-8(11)12/h8,17H,2-7H2,1H3,(H,13,15)
InChIKeyMHHHLXYPBLBLLV-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.42
Rot. Bonds9

About 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol (PubChem CID 107486197) has the molecular formula C10H18F2N4OS and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol
PubChem CID107486197
Molecular FormulaC10H18F2N4OS
Molecular Weight280.34 g/mol
Exact Mass280.12
IUPAC Name2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol
SMILESCCCNc1nnc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C10H18F2N4OS/c1-2-3-13-10-15-14-9(18-10)7-16(4-5-17)6-8(11)12/h8,17H,2-7H2,1H3,(H,13,15)
InChIKeyMHHHLXYPBLBLLV-UHFFFAOYSA-N
XLogP1.42
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607000
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607004
N-propyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607634
N-ethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607735
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157
N-ethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608249
N-[2-(3-Methylmorpholin-4-YL)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 86799573
N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 99699493
N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 99856214
1,1,1-Trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
CID 103688274
2,2-Difluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 104858416

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol (CID 107486197) is 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol is CCCNc1nnc(CN(CCO)CC(F)F)s1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol?
The InChIKey is MHHHLXYPBLBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4OS/c1-2-3-13-10-15-14-9(18-10)7-16(4-5-17)6-8(11)12/h8,17H,2-7H2,1H3,(H,13,15).
What are the key properties of 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol has a molecular weight of 280.34 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 107486197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).