2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide

C8H13N3O2S — CID 165451079

IUPAC2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1cnc(CCN)s1
InChIInChI=1S/C8H13N3O2S/c1-11(13-2)8(12)6-5-10-7(14-6)3-4-9/h5H,3-4,9H2,1-2H3
InChIKeyZMSAJQZMXNGAFG-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.28
Rot. Bonds4

About 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide

2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 165451079) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID165451079
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1cnc(CCN)s1
InChIInChI=1S/C8H13N3O2S/c1-11(13-2)8(12)6-5-10-7(14-6)3-4-9/h5H,3-4,9H2,1-2H3
InChIKeyZMSAJQZMXNGAFG-UHFFFAOYSA-N
XLogP0.28
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide
CID 82422332
2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 119204826
N-methyl-N-(1-methylpyrazol-4-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 139004286
N-methoxy-N-methyl-6-propylpyridine-3-carboxamide
CID 118255839
1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 171593900
2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine
CID 172935457
methyl 2-(2-phenylethyl)-1,3-thiazole-5-carboxylate
CID 80572742
ethane;ethyl 2-(3-oxopropyl)-1,3-thiazole-5-carboxylate
CID 145400595
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone
CID 106815106
pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate
CID 21415069
methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 119048225
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide (CID 165451079) is 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide is CON(C)C(=O)c1cnc(CCN)s1.
What is the InChIKey of 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZMSAJQZMXNGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11(13-2)8(12)6-5-10-7(14-6)3-4-9/h5H,3-4,9H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 165451079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).