N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C14H14N2O3S2 — CID 2082564

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H14N2O3S2/c1-9-6-20-14(16-9)21-7-13(17)15-5-10-2-3-11-12(4-10)19-8-18-11/h2-4,6H,5,7-8H2,1H3,(H,15,17)
InChIKeyZHZMJLQXYYSDMZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.59
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2082564) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2082564
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H14N2O3S2/c1-9-6-20-14(16-9)21-7-13(17)15-5-10-2-3-11-12(4-10)19-8-18-11/h2-4,6H,5,7-8H2,1H3,(H,15,17)
InChIKeyZHZMJLQXYYSDMZ-UHFFFAOYSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3878872
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-ylthio)acetamide
CID 1243429
N-(2-(2-(3,4-dimethoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119220
N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 861892
4-(1,3-Benzodioxol-5-yl)-2-methyl-1,3-thiazole
CID 2548441
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532900
N-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methyl]acetamide
CID 46948040
N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide
CID 2121959
N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2533042
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)propanamide
CID 4678925
US10336775, Example 1
CID 118911172
1-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(4-(((4-fluorobenzyl)thio)methyl)thiazol-2-yl)urea
CID 16850428

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2082564) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZHZMJLQXYYSDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9-6-20-14(16-9)21-7-13(17)15-5-10-2-3-11-12(4-10)19-8-18-11/h2-4,6H,5,7-8H2,1H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2082564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).