4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine

C14H16FN3S — CID 103360089

IUPAC4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1C1CC1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3S/c1-8(10-3-2-4-11(15)7-10)17-14-12(9-5-6-9)13(16)18-19-14/h2-4,7-9,17H,5-6H2,1H3,(H2,16,18)
InChIKeyHEOYCOUYFONDJZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.91
Rot. Bonds4

About 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103360089) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103360089
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1C1CC1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3S/c1-8(10-3-2-4-11(15)7-10)17-14-12(9-5-6-9)13(16)18-19-14/h2-4,7-9,17H,5-6H2,1H3,(H2,16,18)
InChIKeyHEOYCOUYFONDJZ-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103360089) is 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is CC(Nc1snc(N)c1C1CC1)c1cccc(F)c1.
What is the InChIKey of 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is HEOYCOUYFONDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-8(10-3-2-4-11(15)7-10)17-14-12(9-5-6-9)13(16)18-19-14/h2-4,7-9,17H,5-6H2,1H3,(H2,16,18).
What are the key properties of 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).