1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C6H8F3N3S — CID 104633021

IUPAC1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-2-3(10)4-11-12-5(13-4)6(7,8)9/h3H,2,10H2,1H3
InChIKeyIAIXAYXEQBTMQH-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.97
Rot. Bonds2

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

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 104633021) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID104633021
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-2-3(10)4-11-12-5(13-4)6(7,8)9/h3H,2,10H2,1H3
InChIKeyIAIXAYXEQBTMQH-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)ethan-1-amine
CID 20655905
3-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 65726171
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82657787
(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 96858366
(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
CID 121397237
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
CID 175071507
2-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-YL]ethanamine
CID 51000276
4,4,4-Trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
CID 61647692
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 65703343
N-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 65704031
N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65704536
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65704583

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 104633021) is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is IAIXAYXEQBTMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-2-3(10)4-11-12-5(13-4)6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 211.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 104633021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).