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

C7H11F3N4S — CID 107494235

IUPACN'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1nnc(N(CCN)CC(F)(F)F)s1
InChIInChI=1S/C7H11F3N4S/c1-5-12-13-6(15-5)14(3-2-11)4-7(8,9)10/h2-4,11H2,1H3
InChIKeyHBBHKMZAJXCLBV-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.17
Rot. Bonds4

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

N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494235) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494235
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC NameN'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1nnc(N(CCN)CC(F)(F)F)s1
InChIInChI=1S/C7H11F3N4S/c1-5-12-13-6(15-5)14(3-2-11)4-7(8,9)10/h2-4,11H2,1H3
InChIKeyHBBHKMZAJXCLBV-UHFFFAOYSA-N
XLogP1.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine
CID 79661792
N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494250
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494312
2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 65208612
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107489472
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768024
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
N-(2-bromoethyl)-N-butyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 80669751
N'-propyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449487
N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 65209033

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494235) is N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is Cc1nnc(N(CCN)CC(F)(F)F)s1.
What is the InChIKey of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HBBHKMZAJXCLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-5-12-13-6(15-5)14(3-2-11)4-7(8,9)10/h2-4,11H2,1H3.
What are the key properties of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 240.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).