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

C10H15F3N4S — CID 106738173

IUPAC1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESNCC(Nc1nnc(C(F)(F)F)s1)C1CCCC1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-16-17-9(18-8)15-7(5-14)6-3-1-2-4-6/h6-7H,1-5,14H2,(H,15,17)
InChIKeyFEGZFAYRVLCCHE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.49
Rot. Bonds4

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

1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (PubChem CID 106738173) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
PubChem CID106738173
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESNCC(Nc1nnc(C(F)(F)F)s1)C1CCCC1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-16-17-9(18-8)15-7(5-14)6-3-1-2-4-6/h6-7H,1-5,14H2,(H,15,17)
InChIKeyFEGZFAYRVLCCHE-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (CID 106738173) is 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is NCC(Nc1nnc(C(F)(F)F)s1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The InChIKey is FEGZFAYRVLCCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)8-16-17-9(18-8)15-7(5-14)6-3-1-2-4-6/h6-7H,1-5,14H2,(H,15,17).
What are the key properties of 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine has a molecular weight of 280.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 106738173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).