1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine

C11H17F2N3S — CID 114226762

IUPAC1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(C2CCC(F)(F)C2)s1
InChIInChI=1S/C11H17F2N3S/c1-3-14-7(2)9-15-16-10(17-9)8-4-5-11(12,13)6-8/h7-8,14H,3-6H2,1-2H3
InChIKeyJOMPMDVXBIIERH-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.11
Rot. Bonds4

About 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine

1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine (PubChem CID 114226762) has the molecular formula C11H17F2N3S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
PubChem CID114226762
Molecular FormulaC11H17F2N3S
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Name1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(C2CCC(F)(F)C2)s1
InChIInChI=1S/C11H17F2N3S/c1-3-14-7(2)9-15-16-10(17-9)8-4-5-11(12,13)6-8/h7-8,14H,3-6H2,1-2H3
InChIKeyJOMPMDVXBIIERH-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 81934222
N-[[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81934223
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81934224
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 81934238
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 81934239
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 81934242
N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81934266
N-methyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934267
N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81934292
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934293
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 81934294
N-[[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81934320

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine (CID 114226762) is 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(C2CCC(F)(F)C2)s1.
What is the InChIKey of 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The InChIKey is JOMPMDVXBIIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3S/c1-3-14-7(2)9-15-16-10(17-9)8-4-5-11(12,13)6-8/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 114226762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).