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

C12H14FN3OS — CID 114080618

IUPACN-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2cncc(F)c2)cs1
InChIInChI=1S/C12H14FN3OS/c1-17-3-2-14-7-12-16-11(8-18-12)9-4-10(13)6-15-5-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyLNMFFNNFDHAACK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.08
Rot. Bonds6

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

N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 114080618) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID114080618
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC NameN-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2cncc(F)c2)cs1
InChIInChI=1S/C12H14FN3OS/c1-17-3-2-14-7-12-16-11(8-18-12)9-4-10(13)6-15-5-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyLNMFFNNFDHAACK-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (CID 114080618) is N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(-c2cncc(F)c2)cs1.
What is the InChIKey of N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is LNMFFNNFDHAACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-17-3-2-14-7-12-16-11(8-18-12)9-4-10(13)6-15-5-9/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 267.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114080618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).