N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

C14H16FN3S — CID 133458174

IUPACN-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCC1CC1Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C14H16FN3S/c1-2-10-8-12(10)16-14-18-17-13(19-14)7-9-3-5-11(15)6-4-9/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)
InChIKeyDPFNXBMQXYSTSR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.48
Rot. Bonds5

About N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133458174) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133458174
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC NameN-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCC1CC1Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C14H16FN3S/c1-2-10-8-12(10)16-14-18-17-13(19-14)7-9-3-5-11(15)6-4-9/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)
InChIKeyDPFNXBMQXYSTSR-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 133458174) is N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is CCC1CC1Nc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DPFNXBMQXYSTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-2-10-8-12(10)16-14-18-17-13(19-14)7-9-3-5-11(15)6-4-9/h3-6,10,12H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133458174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).