2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C12H12N2O2S — CID 82118916

IUPAC2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(CC(N)=O)n2)c1
InChIInChI=1S/C12H12N2O2S/c1-16-9-4-2-3-8(5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeySDQQCZAQRNSDIL-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.85
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 82118916) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID82118916
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(CC(N)=O)n2)c1
InChIInChI=1S/C12H12N2O2S/c1-16-9-4-2-3-8(5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeySDQQCZAQRNSDIL-UHFFFAOYSA-N
XLogP1.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 118916626
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 25017057
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868820
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 110452105
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 82118916) is 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1cccc(-c2csc(CC(N)=O)n2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SDQQCZAQRNSDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-9-4-2-3-8(5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 82118916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).