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

C11H19F3N4S — CID 114449666

IUPAC1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H19F3N4S/c1-7(2)5-8(6-18(3)4)15-10-17-16-9(19-10)11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyDPJJNXPNEKKGIW-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.95
Rot. Bonds6

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

1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine (PubChem CID 114449666) has the molecular formula C11H19F3N4S and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
PubChem CID114449666
Molecular FormulaC11H19F3N4S
Molecular Weight296.36 g/mol
Exact Mass296.13
IUPAC Name1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H19F3N4S/c1-7(2)5-8(6-18(3)4)15-10-17-16-9(19-10)11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyDPJJNXPNEKKGIW-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine (CID 114449666) is 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine is CC(C)CC(CN(C)C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
The InChIKey is DPJJNXPNEKKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4S/c1-7(2)5-8(6-18(3)4)15-10-17-16-9(19-10)11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine has a molecular weight of 296.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine is sourced from PubChem (CID 114449666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).