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

C9H15F3N4S — CID 106918204

IUPACN,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
SMILESCNCC(C)CN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-6(4-13-2)5-16(3)8-15-14-7(17-8)9(10,11)12/h6,13H,4-5H2,1-3H3
InChIKeySPFRVBHEJXUSBU-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.85
Rot. Bonds5

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

N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine (PubChem CID 106918204) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
PubChem CID106918204
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
SMILESCNCC(C)CN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-6(4-13-2)5-16(3)8-15-14-7(17-8)9(10,11)12/h6,13H,4-5H2,1-3H3
InChIKeySPFRVBHEJXUSBU-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-N-methyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 114450387
N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 133492289
N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130557653
2-methyl-3-(methylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119705214
1-(2-bromophenyl)-2-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 166235557
N'-hydroxy-3-[2-methylpropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanimidamide
CID 104928290
methyl 3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)-methylamino]-2-methylpropanoate
CID 75497220
N,N',2-trimethyl-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 106918113
1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol
CID 64622447
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 25022336
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133492419
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448606

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine (CID 106918204) is N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine is CNCC(C)CN(C)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
The InChIKey is SPFRVBHEJXUSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-6(4-13-2)5-16(3)8-15-14-7(17-8)9(10,11)12/h6,13H,4-5H2,1-3H3.
What are the key properties of N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine?
N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine has a molecular weight of 268.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 106918204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).