2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C13H16N4O3S — CID 66376658

IUPAC2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2csc(CN)n2)cn1
InChIInChI=1S/C13H16N4O3S/c1-19-4-5-20-11-3-2-9(7-15-11)16-13(18)10-8-21-12(6-14)17-10/h2-3,7-8H,4-6,14H2,1H3,(H,16,18)
InChIKeyDGPYNFGYUISERH-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.27
Rot. Bonds7

About 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 66376658) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID66376658
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2csc(CN)n2)cn1
InChIInChI=1S/C13H16N4O3S/c1-19-4-5-20-11-3-2-9(7-15-11)16-13(18)10-8-21-12(6-14)17-10/h2-3,7-8H,4-6,14H2,1H3,(H,16,18)
InChIKeyDGPYNFGYUISERH-UHFFFAOYSA-N
XLogP1.27
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 166340616
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 66376658) is 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide is COCCOc1ccc(NC(=O)c2csc(CN)n2)cn1.
What is the InChIKey of 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DGPYNFGYUISERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-19-4-5-20-11-3-2-9(7-15-11)16-13(18)10-8-21-12(6-14)17-10/h2-3,7-8H,4-6,14H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).