N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide

C10H7N5OS — CID 79512579

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2nnc(N)s2)c1
InChIInChI=1S/C10H7N5OS/c11-5-6-2-1-3-7(4-6)8(16)13-10-15-14-9(12)17-10/h1-4H,(H2,12,14)(H,13,15,16)
InChIKeyVGUGIMLSIRVUQR-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.24
Rot. Bonds2

About N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide (PubChem CID 79512579) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
PubChem CID79512579
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2nnc(N)s2)c1
InChIInChI=1S/C10H7N5OS/c11-5-6-2-1-3-7(4-6)8(16)13-10-15-14-9(12)17-10/h1-4H,(H2,12,14)(H,13,15,16)
InChIKeyVGUGIMLSIRVUQR-UHFFFAOYSA-N
XLogP1.24
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2635787
2-[[5-[(3-cyanobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283574
3-cyano-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8697306
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzonitrile
CID 42805382
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
3-(cyanomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179662
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9094383

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide (CID 79512579) is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2nnc(N)s2)c1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide?
The InChIKey is VGUGIMLSIRVUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c11-5-6-2-1-3-7(4-6)8(16)13-10-15-14-9(12)17-10/h1-4H,(H2,12,14)(H,13,15,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide has a molecular weight of 245.27 g/mol, XLogP of 1.24, 2 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)-3-cyanobenzamide is sourced from PubChem (CID 79512579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).