N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C13H13Cl2N3O2S — CID 106922126

IUPACN-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SC(C)C(=O)Nc2c(Cl)cc(N)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O2S/c1-6-5-20-13(17-6)21-7(2)12(19)18-11-9(14)3-8(16)4-10(11)15/h3-5,7H,16H2,1-2H3,(H,18,19)
InChIKeyADKTZBRHBFLIQC-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.99
Rot. Bonds4

About N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106922126) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106922126
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SC(C)C(=O)Nc2c(Cl)cc(N)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O2S/c1-6-5-20-13(17-6)21-7(2)12(19)18-11-9(14)3-8(16)4-10(11)15/h3-5,7H,16H2,1-2H3,(H,18,19)
InChIKeyADKTZBRHBFLIQC-UHFFFAOYSA-N
XLogP3.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43093599
N-(4-amino-2,6-dichlorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 104602976
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
N-(2-amino-4,6-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43105972
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 42940906
N-(2-amino-4,6-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 61345279
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 47028191
N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106922126) is N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1coc(SC(C)C(=O)Nc2c(Cl)cc(N)cc2Cl)n1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is ADKTZBRHBFLIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-6-5-20-13(17-6)21-7(2)12(19)18-11-9(14)3-8(16)4-10(11)15/h3-5,7H,16H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 346.24 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106922126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).