1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine

C8H11F3N4S — CID 114449925

IUPAC1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESNCC(Nc1nnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5(3-12)4-1-2-4/h4-5H,1-3,12H2,(H,13,15)
InChIKeyWMHUEEBCFHLDNO-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.71
Rot. Bonds4

About 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine

1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (PubChem CID 114449925) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
PubChem CID114449925
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESNCC(Nc1nnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5(3-12)4-1-2-4/h4-5H,1-3,12H2,(H,13,15)
InChIKeyWMHUEEBCFHLDNO-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (CID 114449925) is 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is NCC(Nc1nnc(C(F)(F)F)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The InChIKey is WMHUEEBCFHLDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5(3-12)4-1-2-4/h4-5H,1-3,12H2,(H,13,15).
What are the key properties of 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine has a molecular weight of 252.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 114449925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).