N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine

C9H15F3N4S — CID 114449488

IUPACN'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
SMILESCC(C)N(CCCN)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-6(2)16(5-3-4-13)8-15-14-7(17-8)9(10,11)12/h6H,3-5,13H2,1-2H3
InChIKeyUWPDRTKVJNYWRK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.12
Rot. Bonds5

About N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine

N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine (PubChem CID 114449488) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
PubChem CID114449488
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
SMILESCC(C)N(CCCN)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-6(2)16(5-3-4-13)8-15-14-7(17-8)9(10,11)12/h6H,3-5,13H2,1-2H3
InChIKeyUWPDRTKVJNYWRK-UHFFFAOYSA-N
XLogP2.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine (CID 114449488) is N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine is CC(C)N(CCCN)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
The InChIKey is UWPDRTKVJNYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-6(2)16(5-3-4-13)8-15-14-7(17-8)9(10,11)12/h6H,3-5,13H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine has a molecular weight of 268.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 114449488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).