N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H12F3N3OS — CID 107305191

IUPACN-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C(F)(F)F)ns1)C1CCOC1
InChIInChI=1S/C9H12F3N3OS/c1-5(6-2-3-16-4-6)13-8-14-7(15-17-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyNIODNEMJPNGAJC-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.39
Rot. Bonds3

About N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305191) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305191
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C(F)(F)F)ns1)C1CCOC1
InChIInChI=1S/C9H12F3N3OS/c1-5(6-2-3-16-4-6)13-8-14-7(15-17-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyNIODNEMJPNGAJC-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151218
3-[2-(2,2-difluoroethoxy)ethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103151219
N-[(2-methyloxolan-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105741829
N-[(2-ethyloxolan-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105742717
N-(2-methyloxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105756901
N-(1-ethoxy-3-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105807866
N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105809769
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105844821
N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105897481
N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106298007
4-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 106350616
N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304730

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305191) is N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C(F)(F)F)ns1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NIODNEMJPNGAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-5(6-2-3-16-4-6)13-8-14-7(15-17-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 267.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).