N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C9H7N5OS2 — CID 75495097

IUPACN-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1cn[nH]n1
InChIInChI=1S/C9H7N5OS2/c10-3-6-1-2-16-9(6)12-7(15)5-17-8-4-11-14-13-8/h1-2,4H,5H2,(H,12,15)(H,11,13,14)
InChIKeyMFZODRPFZJGTNY-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.47
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide

N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 75495097) has the molecular formula C9H7N5OS2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID75495097
Molecular FormulaC9H7N5OS2
Molecular Weight265.32 g/mol
Exact Mass265.01
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1cn[nH]n1
InChIInChI=1S/C9H7N5OS2/c10-3-6-1-2-16-9(6)12-7(15)5-17-8-4-11-14-13-8/h1-2,4H,5H2,(H,12,15)(H,11,13,14)
InChIKeyMFZODRPFZJGTNY-UHFFFAOYSA-N
XLogP1.47
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42119297
2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 43249184
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 24631051
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
CID 154836572
N-(3-cyanothiophen-2-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40671159
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880
N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2390774
N-(3-cyanothiophen-2-yl)-2-[[4,5-di(propan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19717448
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026
N-(3-cyanothiophen-2-yl)-2-[(4-propyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725771
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735749
N-(3-cyanothiophen-2-yl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 155946419

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 75495097) is N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is N#Cc1ccsc1NC(=O)CSc1cn[nH]n1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is MFZODRPFZJGTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS2/c10-3-6-1-2-16-9(6)12-7(15)5-17-8-4-11-14-13-8/h1-2,4H,5H2,(H,12,15)(H,11,13,14).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 265.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 75495097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).