N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C6H8F3N3S — CID 107304639

IUPACN-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3S/c1-2-3-10-5-11-4(12-13-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyNCCJTMKBQIINIX-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.38
Rot. Bonds3

About N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304639) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304639
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3S/c1-2-3-10-5-11-4(12-13-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyNCCJTMKBQIINIX-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287031
N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 103691574
N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304649
3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 174154427
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268372
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304639) is N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NCCJTMKBQIINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-2-3-10-5-11-4(12-13-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12).
What are the key properties of N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).