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

C14H16N2O3S2 — CID 2533003

IUPACN-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cs2)cc1OC
InChIInChI=1S/C14H16N2O3S2/c1-9-7-20-14(15-9)21-8-13(17)16-10-4-5-11(18-2)12(6-10)19-3/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyOTQWIIYIBIRAEO-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.20
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2533003) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2533003
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cs2)cc1OC
InChIInChI=1S/C14H16N2O3S2/c1-9-7-20-14(15-9)21-8-13(17)16-10-4-5-11(18-2)12(6-10)19-3/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyOTQWIIYIBIRAEO-UHFFFAOYSA-N
XLogP3.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Methoxy-phenyl)-3-(4-methyl-thiazol-2-ylsulfanyl)-propionamide
CID 3882075
N-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4305027
N-(4-methoxy-2-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4791609
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1537190
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2222346
N-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532623
N-(3-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532845
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532889
N-(3,5-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2533046
N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207519
N-(3,4-dimethoxyphenyl)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24818950
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3591625

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2533003) is N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc(C)cs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OTQWIIYIBIRAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-7-20-14(15-9)21-8-13(17)16-10-4-5-11(18-2)12(6-10)19-3/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2533003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).