N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide

C19H18N4O2S2 — CID 19318016

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2cccc(NC(=S)Nc3ccccc3)c2)no1
InChIInChI=1S/C19H18N4O2S2/c1-13-10-17(23-25-13)22-18(24)12-27-16-9-5-8-15(11-16)21-19(26)20-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,20,21,26)(H,22,23,24)
InChIKeyRLBMQOMCDGUKPY-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.52
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide (PubChem CID 19318016) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
PubChem CID19318016
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2cccc(NC(=S)Nc3ccccc3)c2)no1
InChIInChI=1S/C19H18N4O2S2/c1-13-10-17(23-25-13)22-18(24)12-27-16-9-5-8-15(11-16)21-19(26)20-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,20,21,26)(H,22,23,24)
InChIKeyRLBMQOMCDGUKPY-UHFFFAOYSA-N
XLogP4.52
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316362
2-fluoro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913014
N-(4-iodophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316369
4-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 19316379
N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316374
2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912582
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46553294
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19630696
N-(4-ethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316662
N-[(Z)-1-(3-chlorophenyl)-3-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19319114
N-(4-acetamidophenyl)-2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19317247
N-(2,4-dichlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316337

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide (CID 19318016) is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide is Cc1cc(NC(=O)CSc2cccc(NC(=S)Nc3ccccc3)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide?
The InChIKey is RLBMQOMCDGUKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-13-10-17(23-25-13)22-18(24)12-27-16-9-5-8-15(11-16)21-19(26)20-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,20,21,26)(H,22,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide has a molecular weight of 398.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 19318016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).