2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide

C14H17N3O3S — CID 119774063

IUPAC2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(OC)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C14H17N3O3S/c1-3-20-12-5-4-9(19-2)6-10(12)17-14(18)11-8-21-13(7-15)16-11/h4-6,8H,3,7,15H2,1-2H3,(H,17,18)
InChIKeyWVDOPCZDDRYRKR-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.26
Rot. Bonds6

About 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119774063) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119774063
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(OC)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C14H17N3O3S/c1-3-20-12-5-4-9(19-2)6-10(12)17-14(18)11-8-21-13(7-15)16-11/h4-6,8H,3,7,15H2,1-2H3,(H,17,18)
InChIKeyWVDOPCZDDRYRKR-UHFFFAOYSA-N
XLogP2.26
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 119797765
2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119739998
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-(4-butoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119739426
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915265
2-(aminomethyl)-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119786408
N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790210
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 119774063) is 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(OC)cc1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WVDOPCZDDRYRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-20-12-5-4-9(19-2)6-10(12)17-14(18)11-8-21-13(7-15)16-11/h4-6,8H,3,7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119774063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).