N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide

C11H12N4OS2 — CID 91768199

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C11H12N4OS2/c1-17-8-5-3-2-4-7(8)10(16)13-6-9-14-15-11(12)18-9/h2-5H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyPNLHLCHCKHUUNL-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.77
Rot. Bonds4

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide (PubChem CID 91768199) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
PubChem CID91768199
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C11H12N4OS2/c1-17-8-5-3-2-4-7(8)10(16)13-6-9-14-15-11(12)18-9/h2-5H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyPNLHLCHCKHUUNL-UHFFFAOYSA-N
XLogP1.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
CID 92660456
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
CID 122567122
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 92659597
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 77093532
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-methylsulfanylbenzamide
CID 79215523
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 171137537

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide (CID 91768199) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1nnc(N)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is PNLHLCHCKHUUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-17-8-5-3-2-4-7(8)10(16)13-6-9-14-15-11(12)18-9/h2-5H,6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 280.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 91768199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).