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

C10H17F3N4S — CID 106357715

IUPAC4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine
SMILESCC(C)(C)C(CCN)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H17F3N4S/c1-9(2,3)6(4-5-14)15-8-17-16-7(18-8)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyOXHPTFXDMWEISU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds4

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

4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine (PubChem CID 106357715) has the molecular formula C10H17F3N4S and a molecular weight of 282.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine.

Molecular Properties

Compound Name4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine
PubChem CID106357715
Molecular FormulaC10H17F3N4S
Molecular Weight282.34 g/mol
Exact Mass282.11
IUPAC Name4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine
SMILESCC(C)(C)C(CCN)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H17F3N4S/c1-9(2,3)6(4-5-14)15-8-17-16-7(18-8)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyOXHPTFXDMWEISU-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N-[(4-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 59229897
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
Piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323569
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine
CID 102609063
N-(3-methyl-2-propan-2-ylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 102914147
5-methyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 103580488
5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 103688269
N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924295
N-(2-propylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924585
N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924664

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine?
The IUPAC name of 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine (CID 106357715) is 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine.
What is the SMILES notation for 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine?
The canonical SMILES for 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine is CC(C)(C)C(CCN)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine?
The InChIKey is OXHPTFXDMWEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-9(2,3)6(4-5-14)15-8-17-16-7(18-8)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine?
4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine has a molecular weight of 282.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine is sourced from PubChem (CID 106357715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).