[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone

C13H14N2O2S — CID 116585293

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1csc(CN)n1
InChIInChI=1S/C13H14N2O2S/c1-8-3-4-11(17-2)9(5-8)13(16)10-7-18-12(6-14)15-10/h3-5,7H,6,14H2,1-2H3
InChIKeyCZJJRGSRMZVYDO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.15
Rot. Bonds4

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 116585293) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID116585293
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1csc(CN)n1
InChIInChI=1S/C13H14N2O2S/c1-8-3-4-11(17-2)9(5-8)13(16)10-7-18-12(6-14)15-10/h3-5,7H,6,14H2,1-2H3
InChIKeyCZJJRGSRMZVYDO-UHFFFAOYSA-N
XLogP2.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585581
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
CID 116585062
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514931
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116585193
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119747520
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116585116
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone (CID 116585293) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1csc(CN)n1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is CZJJRGSRMZVYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-3-4-11(17-2)9(5-8)13(16)10-7-18-12(6-14)15-10/h3-5,7H,6,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 262.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 116585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).