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

C13H15N3O3S — CID 4537458

IUPACN-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H15N3O3S/c1-18-10-4-3-9(7-11(10)19-2)15-12(17)8-16-5-6-20-13(16)14/h3-7,14H,8H2,1-2H3,(H,15,17)/b14-13-
InChIKeyLYCRKJRLFHEPBA-YPKPFQOOSA-N
MW293.35 g/mol
LogP1.68
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (PubChem CID 4537458) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
PubChem CID4537458
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H15N3O3S/c1-18-10-4-3-9(7-11(10)19-2)15-12(17)8-16-5-6-20-13(16)14/h3-7,14H,8H2,1-2H3,(H,15,17)/b14-13-
InChIKeyLYCRKJRLFHEPBA-YPKPFQOOSA-N
XLogP1.68
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
N-(4,5-dimethyl-2-nitrophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 3895466
N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486215
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
N-(3,4-dimethoxyphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930671

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (CID 4537458) is N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is [H]/N=c1\sccn1CC(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The InChIKey is LYCRKJRLFHEPBA-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-18-10-4-3-9(7-11(10)19-2)15-12(17)8-16-5-6-20-13(16)14/h3-7,14H,8H2,1-2H3,(H,15,17)/b14-13-.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 4537458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).