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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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).