N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C14H18FN3OS — CID 114366484

IUPACN-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2ccc(F)cn2)sc1CNC(C)C
InChIInChI=1S/C14H18FN3OS/c1-9(2)16-7-13-12(8-19-3)18-14(20-13)11-5-4-10(15)6-17-11/h4-6,9,16H,7-8H2,1-3H3
InChIKeyJRWGBNINPNUEAU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.99
Rot. Bonds6

About N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366484) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366484
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2ccc(F)cn2)sc1CNC(C)C
InChIInChI=1S/C14H18FN3OS/c1-9(2)16-7-13-12(8-19-3)18-14(20-13)11-5-4-10(15)6-17-11/h4-6,9,16H,7-8H2,1-3H3
InChIKeyJRWGBNINPNUEAU-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366484) is N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COCc1nc(-c2ccc(F)cn2)sc1CNC(C)C.
What is the InChIKey of N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JRWGBNINPNUEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-9(2)16-7-13-12(8-19-3)18-14(20-13)11-5-4-10(15)6-17-11/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 295.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).