N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H17F3N4S — CID 114448248

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)C1(CNc2nnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C11H17F3N4S/c1-18(2)10(5-3-4-6-10)7-15-9-17-16-8(19-9)11(12,13)14/h3-7H2,1-2H3,(H,15,17)
InChIKeyFGTQBQXCRODHDC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.84
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448248) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448248
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)C1(CNc2nnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C11H17F3N4S/c1-18(2)10(5-3-4-6-10)7-15-9-17-16-8(19-9)11(12,13)14/h3-7H2,1-2H3,(H,15,17)
InChIKeyFGTQBQXCRODHDC-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448248) is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(C)C1(CNc2nnc(C(F)(F)F)s2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FGTQBQXCRODHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-18(2)10(5-3-4-6-10)7-15-9-17-16-8(19-9)11(12,13)14/h3-7H2,1-2H3,(H,15,17).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).