N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H7N5OS2 — CID 133392455

IUPACN-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Sc2cccc(C#N)n2)s1
InChIInChI=1S/C10H7N5OS2/c1-6(16)12-9-14-15-10(18-9)17-8-4-2-3-7(5-11)13-8/h2-4H,1H3,(H,12,14,16)
InChIKeyVOWWQUZRTXVYCD-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.91
Rot. Bonds3

About N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 133392455) has the molecular formula C10H7N5OS2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID133392455
Molecular FormulaC10H7N5OS2
Molecular Weight277.33 g/mol
Exact Mass277.01
IUPAC NameN-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Sc2cccc(C#N)n2)s1
InChIInChI=1S/C10H7N5OS2/c1-6(16)12-9-14-15-10(18-9)17-8-4-2-3-7(5-11)13-8/h2-4H,1H3,(H,12,14,16)
InChIKeyVOWWQUZRTXVYCD-UHFFFAOYSA-N
XLogP1.91
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 133391795
2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64588953
2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 64589357
N-[5-[(4-methoxyphenyl)disulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71681556
N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6919150
6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416076
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64588756
6-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 64593835
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 2175403
6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416065
6-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64589155
N-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 12508301

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 133392455) is N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Sc2cccc(C#N)n2)s1.
What is the InChIKey of N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VOWWQUZRTXVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS2/c1-6(16)12-9-14-15-10(18-9)17-8-4-2-3-7(5-11)13-8/h2-4H,1H3,(H,12,14,16).
What are the key properties of N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 277.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 133392455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).