N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide

C17H15N3O2S2 — CID 25476563

IUPACN-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(SCc3ccccc3)ns2)c1
InChIInChI=1S/C17H15N3O2S2/c1-22-14-9-5-8-13(10-14)15(21)18-16-19-17(20-24-16)23-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,19,20,21)
InChIKeySPTCXAZNSSZDQP-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.09
Rot. Bonds6

About N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide

N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide (PubChem CID 25476563) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide
PubChem CID25476563
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(SCc3ccccc3)ns2)c1
InChIInChI=1S/C17H15N3O2S2/c1-22-14-9-5-8-13(10-14)15(21)18-16-19-17(20-24-16)23-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,19,20,21)
InChIKeySPTCXAZNSSZDQP-UHFFFAOYSA-N
XLogP4.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-bromobenzamide
CID 2472346
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 3591989
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 18864521
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 4081988
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 42805440
3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 894653
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 16850206
1-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(4-chlorophenyl)urea
CID 46249565
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide (CID 25476563) is N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc(SCc3ccccc3)ns2)c1.
What is the InChIKey of N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide?
The InChIKey is SPTCXAZNSSZDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-22-14-9-5-8-13(10-14)15(21)18-16-19-17(20-24-16)23-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,19,20,21).
What are the key properties of N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide?
N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide has a molecular weight of 357.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 25476563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).