N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide

C15H18FN3O2S — CID 71987205

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2ccc(F)nc2)cs1
InChIInChI=1S/C15H18FN3O2S/c1-4-21-10(2)14-18-12(9-22-14)8-19(3)15(20)11-5-6-13(16)17-7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyZTVODIUNFCXJJE-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.05
Rot. Bonds6

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 71987205) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
PubChem CID71987205
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2ccc(F)nc2)cs1
InChIInChI=1S/C15H18FN3O2S/c1-4-21-10(2)14-18-12(9-22-14)8-19(3)15(20)11-5-6-13(16)17-7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyZTVODIUNFCXJJE-UHFFFAOYSA-N
XLogP3.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
CID 71994258
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide
CID 71987204
(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 119895740
2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597304
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 77085626
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63979148
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
N-ethyl-6-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 63973149
5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154763098

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide (CID 71987205) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide is CCOC(C)c1nc(CN(C)C(=O)c2ccc(F)nc2)cs1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is ZTVODIUNFCXJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-4-21-10(2)14-18-12(9-22-14)8-19(3)15(20)11-5-6-13(16)17-7-11/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 71987205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).