N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H19F3N4S — CID 165494249

IUPACN-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCNCCN(Cc1nc(C(C)C)ns1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4S/c1-8(2)10-16-9(19-17-10)6-18(5-4-15-3)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyQSMYEYHELRXWPD-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.25
Rot. Bonds7

About N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 165494249) has the molecular formula C11H19F3N4S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID165494249
Molecular FormulaC11H19F3N4S
Molecular Weight296.36 g/mol
Exact Mass296.13
IUPAC NameN-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCNCCN(Cc1nc(C(C)C)ns1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4S/c1-8(2)10-16-9(19-17-10)6-18(5-4-15-3)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyQSMYEYHELRXWPD-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 165494249) is N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CNCCN(Cc1nc(C(C)C)ns1)CC(F)(F)F.
What is the InChIKey of N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QSMYEYHELRXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4S/c1-8(2)10-16-9(19-17-10)6-18(5-4-15-3)7-11(12,13)14/h8,15H,4-7H2,1-3H3.
What are the key properties of N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 296.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 165494249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).