2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide

C13H15N3O2S — CID 66378221

IUPAC2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1cccc(NC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C13H15N3O2S/c1-2-18-10-5-3-4-9(6-10)15-13(17)11-8-19-12(7-14)16-11/h3-6,8H,2,7,14H2,1H3,(H,15,17)
InChIKeySXLYKGNACJVQOG-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.25
Rot. Bonds5

About 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66378221) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID66378221
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1cccc(NC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C13H15N3O2S/c1-2-18-10-5-3-4-9(6-10)15-13(17)11-8-19-12(7-14)16-11/h3-6,8H,2,7,14H2,1H3,(H,15,17)
InChIKeySXLYKGNACJVQOG-UHFFFAOYSA-N
XLogP2.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 66377258
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714907
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
2-(2-aminoethyl)-N-[3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622391
2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119739998
2-(aminomethyl)-N-(3-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714966
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119774063
2-(aminomethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119713421
ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
CID 120618634

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 66378221) is 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1cccc(NC(=O)c2csc(CN)n2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SXLYKGNACJVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-18-10-5-3-4-9(6-10)15-13(17)11-8-19-12(7-14)16-11/h3-6,8H,2,7,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66378221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).