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

C14H16FN3S — CID 114367130

IUPACN-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(F)cn2)nc1C1CC1
InChIInChI=1S/C14H16FN3S/c1-2-16-8-12-13(9-3-4-9)18-14(19-12)11-6-5-10(15)7-17-11/h5-7,9,16H,2-4,8H2,1H3
InChIKeyCNSTVTGHRYIBTR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.33
Rot. Bonds5

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

N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114367130) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114367130
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC NameN-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(F)cn2)nc1C1CC1
InChIInChI=1S/C14H16FN3S/c1-2-16-8-12-13(9-3-4-9)18-14(19-12)11-6-5-10(15)7-17-11/h5-7,9,16H,2-4,8H2,1H3
InChIKeyCNSTVTGHRYIBTR-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114367130) is N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccc(F)cn2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is CNSTVTGHRYIBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-2-16-8-12-13(9-3-4-9)18-14(19-12)11-6-5-10(15)7-17-11/h5-7,9,16H,2-4,8H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114367130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).