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

C13H14N2O3S — CID 806569

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(C)=O)n2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-8(16)14-13-15-10(7-19-13)9-4-5-11(17-2)12(6-9)18-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyJPXJNNWMFNBEHD-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.79
Rot. Bonds4

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

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 806569) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID806569
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(C)=O)n2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-8(16)14-13-15-10(7-19-13)9-4-5-11(17-2)12(6-9)18-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyJPXJNNWMFNBEHD-UHFFFAOYSA-N
XLogP2.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 806569) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(C)=O)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JPXJNNWMFNBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8(16)14-13-15-10(7-19-13)9-4-5-11(17-2)12(6-9)18-3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 278.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 806569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).