N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide

C14H12N4O2S2 — CID 162626817

IUPACN-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nsc(SCc3ccccc3)n2)co1
InChIInChI=1S/C14H12N4O2S2/c1-9-15-11(7-20-9)12(19)16-13-17-14(22-18-13)21-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyOWUFWBLQPSNIQZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.38
Rot. Bonds5

About N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide

N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 162626817) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID162626817
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nsc(SCc3ccccc3)n2)co1
InChIInChI=1S/C14H12N4O2S2/c1-9-15-11(7-20-9)12(19)16-13-17-14(22-18-13)21-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyOWUFWBLQPSNIQZ-UHFFFAOYSA-N
XLogP3.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048084
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide;formic acid
CID 155972549
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-3-fluoropyridine-4-carboxamide
CID 162626422
N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2761299
2-methyl-N-(2-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 30402981
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345287
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402995
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746
N-(2,3-dichlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402707
N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464297
N-[(3aR,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138022360

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide (CID 162626817) is N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2nsc(SCc3ccccc3)n2)co1.
What is the InChIKey of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OWUFWBLQPSNIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-9-15-11(7-20-9)12(19)16-13-17-14(22-18-13)21-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18,19).
What are the key properties of N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 162626817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).