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

C15H14N4O2S2 — CID 30698035

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccccc2SCc2nc(C)no2)n1
InChIInChI=1S/C15H14N4O2S2/c1-9-7-23-15(16-9)18-14(20)11-5-3-4-6-12(11)22-8-13-17-10(2)19-21-13/h3-7H,8H2,1-2H3,(H,16,18,20)
InChIKeyBNXKHBSQRQRRQV-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.69
Rot. Bonds5

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

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 30698035) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID30698035
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccccc2SCc2nc(C)no2)n1
InChIInChI=1S/C15H14N4O2S2/c1-9-7-23-15(16-9)18-14(20)11-5-3-4-6-12(11)22-8-13-17-10(2)19-21-13/h3-7H,8H2,1-2H3,(H,16,18,20)
InChIKeyBNXKHBSQRQRRQV-UHFFFAOYSA-N
XLogP3.69
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30391120
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 55535726
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30391544
N-(2-bromophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30390679
N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 46517408
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 55603958
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26362259
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497
N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 31927874
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 33186980
N-[1-(2-methoxyphenyl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 43043831

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 30698035) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccccc2SCc2nc(C)no2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BNXKHBSQRQRRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-9-7-23-15(16-9)18-14(20)11-5-3-4-6-12(11)22-8-13-17-10(2)19-21-13/h3-7H,8H2,1-2H3,(H,16,18,20).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 346.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 30698035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).