1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C13H14N2O2S — CID 116602675

IUPAC1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOc1ccc(N)c(C(=O)Cc2nc(C)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-8-7-18-13(15-8)6-12(16)10-5-9(17-2)3-4-11(10)14/h3-5,7H,6,14H2,1-2H3
InChIKeyWSRIKLYBMSKGOQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116602675) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID116602675
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOc1ccc(N)c(C(=O)Cc2nc(C)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-8-7-18-13(15-8)6-12(16)10-5-9(17-2)3-4-11(10)14/h3-5,7H,6,14H2,1-2H3
InChIKeyWSRIKLYBMSKGOQ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 115789182
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789277
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-(4-bromo-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586850
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
CID 54913363
1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116602703
(4-methyl-1,3-thiazol-2-yl)methyl 2-amino-3,5-dimethoxybenzoate
CID 115690511
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
(2-amino-5-methoxyphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839622

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 116602675) is 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is COc1ccc(N)c(C(=O)Cc2nc(C)cs2)c1.
What is the InChIKey of 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is WSRIKLYBMSKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-7-18-13(15-8)6-12(16)10-5-9(17-2)3-4-11(10)14/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 262.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116602675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).