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

C15H18ClN3O2S — CID 71994258

IUPAC2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2ccnc(Cl)c2)cs1
InChIInChI=1S/C15H18ClN3O2S/c1-4-21-10(2)14-18-12(9-22-14)8-19(3)15(20)11-5-6-17-13(16)7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyHPMJOTLMBWRUNR-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.56
Rot. Bonds6

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

2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 71994258) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID71994258
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2ccnc(Cl)c2)cs1
InChIInChI=1S/C15H18ClN3O2S/c1-4-21-10(2)14-18-12(9-22-14)8-19(3)15(20)11-5-6-17-13(16)7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyHPMJOTLMBWRUNR-UHFFFAOYSA-N
XLogP3.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.56
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-(Methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 48591831
N-[(6-chloro-3-pyridinyl)methyl]-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
CID 49795477
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 72114927
[(4aR,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-4-ylmethanone
CID 97510649
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 72881857
3-chloro-N-(2-methoxyethyl)-N-(2-thienylmethyl)isonicotinamide
CID 46999709
1-(2,6-Dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 52985512
2-(methoxymethyl)-N-methyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 71885012
N-(2-Methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 72882324
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide
CID 164642027
2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 55011780
2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 61803815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide (CID 71994258) is 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide is CCOC(C)c1nc(CN(C)C(=O)c2ccnc(Cl)c2)cs1.
What is the InChIKey of 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is HPMJOTLMBWRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-4-21-10(2)14-18-12(9-22-14)8-19(3)15(20)11-5-6-17-13(16)7-11/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide?
2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 339.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 71994258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).