2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C9H14F3N3OS — CID 107484532

IUPAC2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nsc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3OS/c1-2-3-7-13-8(17-14-7)15(4-5-16)6-9(10,11)12/h16H,2-6H2,1H3
InChIKeyOVSHZBISUVPPPQ-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.85
Rot. Bonds6

About 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484532) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484532
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nsc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3OS/c1-2-3-7-13-8(17-14-7)15(4-5-16)6-9(10,11)12/h16H,2-6H2,1H3
InChIKeyOVSHZBISUVPPPQ-UHFFFAOYSA-N
XLogP1.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
3-(methoxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 75442119
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258651
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258981
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
1,1,1-Trifluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647015
1,1-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647631
2,2-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 106172174
3-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanimidamide
CID 107304632
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484532) is 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCCc1nsc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is OVSHZBISUVPPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-2-3-7-13-8(17-14-7)15(4-5-16)6-9(10,11)12/h16H,2-6H2,1H3.
What are the key properties of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 269.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).