N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide

C15H17N3O2S2 — CID 24979389

IUPACN-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)/N=c2\sccn2C)c1
InChIInChI=1S/C15H17N3O2S2/c1-11-4-3-5-12(8-11)16-13(19)9-21-10-14(20)17-15-18(2)6-7-22-15/h3-8H,9-10H2,1-2H3,(H,16,19)/b17-15-
InChIKeyNICHXJAXQICRHA-ICFOKQHNSA-N
MW335.45 g/mol
LogP2.19
Rot. Bonds5

About N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide

N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 24979389) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID24979389
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)/N=c2\sccn2C)c1
InChIInChI=1S/C15H17N3O2S2/c1-11-4-3-5-12(8-11)16-13(19)9-21-10-14(20)17-15-18(2)6-7-22-15/h3-8H,9-10H2,1-2H3,(H,16,19)/b17-15-
InChIKeyNICHXJAXQICRHA-ICFOKQHNSA-N
XLogP2.19
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide (CID 24979389) is N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)/N=c2\sccn2C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is NICHXJAXQICRHA-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-11-4-3-5-12(8-11)16-13(19)9-21-10-14(20)17-15-18(2)6-7-22-15/h3-8H,9-10H2,1-2H3,(H,16,19)/b17-15-.
What are the key properties of N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide?
N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 335.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-[(3-methyl-1,3-thiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 24979389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).