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

C15H16N2O3S2 — CID 3878872

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H16N2O3S2/c1-9-7-21-15(17-9)22-10(2)14(18)16-6-11-3-4-12-13(5-11)20-8-19-12/h3-5,7,10H,6,8H2,1-2H3,(H,16,18)
InChIKeyRFFOFTLNEVTQOA-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.98
Rot. Bonds5

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 3878872) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID3878872
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H16N2O3S2/c1-9-7-21-15(17-9)22-10(2)14(18)16-6-11-3-4-12-13(5-11)20-8-19-12/h3-5,7,10H,6,8H2,1-2H3,(H,16,18)
InChIKeyRFFOFTLNEVTQOA-UHFFFAOYSA-N
XLogP2.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide with MolForge

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Related Compounds

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
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
US10336775, Example 32
CID 118911216
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2082564
N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9403887

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 3878872) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is Cc1csc(SC(C)C(=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]propanamide?
The InChIKey is RFFOFTLNEVTQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-9-7-21-15(17-9)22-10(2)14(18)16-6-11-3-4-12-13(5-11)20-8-19-12/h3-5,7,10H,6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 2.98, 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]propanamide is sourced from PubChem (CID 3878872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).