N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide

C12H13N3O2S — CID 110131636

IUPACN-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(-c2cncs2)c1
InChIInChI=1S/C12H13N3O2S/c1-17-5-4-15-12(16)9-2-3-14-10(6-9)11-7-13-8-18-11/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeySRXGDRIGPRTVNQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.58
Rot. Bonds5

About N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide

N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide (PubChem CID 110131636) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
PubChem CID110131636
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(-c2cncs2)c1
InChIInChI=1S/C12H13N3O2S/c1-17-5-4-15-12(16)9-2-3-14-10(6-9)11-7-13-8-18-11/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeySRXGDRIGPRTVNQ-UHFFFAOYSA-N
XLogP1.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.58
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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Related Compounds

N-(1,3-thiazol-2-yl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131633
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
CID 122516202
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082277
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide (CID 110131636) is N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide is COCCNC(=O)c1ccnc(-c2cncs2)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is SRXGDRIGPRTVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-17-5-4-15-12(16)9-2-3-14-10(6-9)11-7-13-8-18-11/h2-3,6-8H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 110131636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).