N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C20H20N2OS2 — CID 24624321

IUPACN-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1
InChIInChI=1S/C20H20N2OS2/c1-13-8-14(2)10-17(9-13)22-20(23)16-4-6-19(7-5-16)25-12-18-11-24-15(3)21-18/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyDYCNTEGTKYBJFO-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.61
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 24624321) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID24624321
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC NameN-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1
InChIInChI=1S/C20H20N2OS2/c1-13-8-14(2)10-17(9-13)22-20(23)16-4-6-19(7-5-16)25-12-18-11-24-15(3)21-18/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyDYCNTEGTKYBJFO-UHFFFAOYSA-N
XLogP5.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(propanoylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46467205
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55890708
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 34314307
N-(2-methoxyethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624877
N-(1,3-benzothiazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24625322
N-[5-chloro-2-(dimethylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55512490
N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624866
N-[2-methoxy-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 33494848
2-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241681
N-[3-(aminomethyl)pentan-3-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119570008
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 46523253

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 24624321) is N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is Cc1cc(C)cc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is DYCNTEGTKYBJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-13-8-14(2)10-17(9-13)22-20(23)16-4-6-19(7-5-16)25-12-18-11-24-15(3)21-18/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 368.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 24624321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).