N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H16FN3S — CID 104841874

IUPACN-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(-c2ncccc2F)sc1CNC1CC1
InChIInChI=1S/C14H16FN3S/c1-2-11-12(8-17-9-5-6-9)19-14(18-11)13-10(15)4-3-7-16-13/h3-4,7,9,17H,2,5-6,8H2,1H3
InChIKeyFJWAGSPYZPCZNH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 104841874) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID104841874
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC NameN-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(-c2ncccc2F)sc1CNC1CC1
InChIInChI=1S/C14H16FN3S/c1-2-11-12(8-17-9-5-6-9)19-14(18-11)13-10(15)4-3-7-16-13/h3-4,7,9,17H,2,5-6,8H2,1H3
InChIKeyFJWAGSPYZPCZNH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 104841874) is N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(-c2ncccc2F)sc1CNC1CC1.
What is the InChIKey of N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is FJWAGSPYZPCZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-2-11-12(8-17-9-5-6-9)19-14(18-11)13-10(15)4-3-7-16-13/h3-4,7,9,17H,2,5-6,8H2,1H3.
What are the key properties of N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 277.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104841874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).